![ZL9 ZL9](https://data.pdbj.org/pdbjplus/data/cc/svg/ZL9.svg) | ZL9 | Name: | 6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one | Formula: | C20 H24 N2 O5 | SMILES: | COc1ccccc1OCCNCCCOc2ccc3OCC(=O)Nc3c2 | InChi: | InChI=1S/C20H24N2O5/c1-24-18-5-2-3-6-19(18)26-12-10-21-9-4-11-25-15-7-8-17-16(13-15)22-20(23)14-27-17/h2-3,5-8,13,21H,4,9-12,14H2,1H3,(H,22,23) | Definition date: | 2023-06-28 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | 6-[3-[2-(2-methoxyphenoxy)ethylamino]propoxy]-4~{H}-1,4-benzoxazin-3-one |
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![X4X X4X](https://data.pdbj.org/pdbjplus/data/cc/svg/X4X.svg) | X4X | Name: | (9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide | Formula: | C20 H37 N O3 | SMILES: | OCCNC(=O)CCCCCCCC(O)C=CC=C/CCCCC | InChi: | InChI=1S/C20H37NO3/c1-2-3-4-5-6-8-11-14-19(23)15-12-9-7-10-13-16-20(24)21-17-18-22/h6,8,11,14,19,22-23H,2-5,7,9-10,12-13,15-18H2,1H3,(H,21,24)/b8-6-,14-11+/t19-/m0/s1 | Definition date: | 2022-10-27 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | (9R,10E,12Z)-9-hydroxy-N-(2-hydroxyethyl)octadeca-10,12-dienamide |
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![L1U L1U](https://data.pdbj.org/pdbjplus/data/cc/svg/L1U.svg) | L1U | Name: | [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol | Formula: | C12 H15 As N6 O S2 | SMILES: | Nc1nc(N)nc(Nc2ccc(cc2)[As]3SC[CH](CO)S3)n1 | InChi: | InChI=1S/C12H15AsN6OS2/c14-10-17-11(15)19-12(18-10)16-8-3-1-7(2-4-8)13-21-6-9(5-20)22-13/h1-4,9,20H,5-6H2,(H5,14,15,16,17,18,19)/t9-,13+/m1/s1 | Definition date: | 2023-08-21 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | [(4~{R})-2-[4-[[4,6-bis(azanyl)-1,3,5-triazin-2-yl]amino]phenyl]-1,3,2-dithiarsolan-4-yl]methanol |
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![L5R L5R](https://data.pdbj.org/pdbjplus/data/cc/svg/L5R.svg) | L5R | Name: | [(2R,3S,5R)-5-[(1R,6R)-3,5-bis(oxidanylidene)-8-phenyl-6-(2-phenylethynyl)-2,4-diazabicyclo[4.2.0]oct-7-en-2-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate | Formula: | C25 H23 N2 O8 P | SMILES: | O[CH]1C[CH](O[CH]1CO[P](O)(O)=O)N2[CH]3C(=C[C]3(C#Cc4ccccc4)C(=O)NC2=O)c5ccccc5 | InChi: | InChI=1S/C25H23N2O8P/c28-19-13-21(35-20(19)15-34-36(31,32)33)27-22-18(17-9-5-2-6-10-17)14-25(22,23(29)26-24(27)30)12-11-16-7-3-1-4-8-16/h1-10,14,19-22,28H,13,15H2,(H,26,29,30)(H2,31,32,33)/t19-,20+,21+,22+,25-/m0/s1 | Definition date: | 2023-08-16 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | [(2~{R},3~{S},5~{R})-5-[(1~{R},6~{R})-3,5-bis(oxidanylidene)-8-phenyl-6-(2-phenylethynyl)-2,4-diazabicyclo[4.2.0]oct-7-en-2-yl]-3-oxidanyl-oxolan-2-yl]methyl dihydrogen phosphate |
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![M0O M0O](https://data.pdbj.org/pdbjplus/data/cc/svg/M0O.svg) | M0O | Name: | (2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2S,3S,4S,5R,6S)-5-[(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(3R,6S)-6-[(3S,8S,9R,10R,11S,13R,14S,17R)-3-[(2S,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol | Formula: | C54 H92 O24 | SMILES: | C[CH](CC[CH](O[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)C(C)(C)O)[CH]4CC[C]5(C)[CH]6CC=C7[CH](CC[CH](O[CH]8O[CH](CO)[CH](O)[CH](O)[CH]8O)C7(C)C)[C]6(C)[CH](O)C[C]45C | InChi: | InChI=1S/C54H92O24/c1-22(23-15-16-52(6)30-12-10-24-25(54(30,8)31(58)17-53(23,52)7)11-14-32(50(24,2)3)76-47-43(68)39(64)35(60)27(19-56)73-47)9-13-33(51(4,5)70)77-49-45(78-48-44(69)40(65)36(61)28(20-57)74-48)41(66)37(62)29(75-49)21-71-46-42(67)38(63)34(59)26(18-55)72-46/h10,22-23,25-49,55-70H,9,11-21H2,1-8H3/t22-,23+,25+,26-,27-,28-,29-,30-,31-,32-,33+,34+,35+,36+,37+,38-,39-,40-,41-,42+,43+,44+,45+,46+,47-,48-,49-,52-,53+,54-/m0/s1 | Definition date: | 2022-12-20 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | (2~{S},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(2~{S},3~{S},4~{S},5~{R},6~{S})-5-[(2~{S},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[(3~{R},6~{S})-6-[(3~{S},8~{S},9~{R},10~{R},11~{S},13~{R},14~{S},17~{R})-3-[(2~{S},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4-bis(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol |
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![M1K M1K](https://data.pdbj.org/pdbjplus/data/cc/svg/M1K.svg) | M1K | Name: | (2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-6-[[(3S,8S,9R,10R,11R,13R,14S,17R)-17-[(2S,5R)-5-[(2S,3R,4S,5S,6R)-3-[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol | Formula: | C60 H102 O29 | SMILES: | C[CH](CC[CH](O[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)C(C)(C)O)[CH]4CC[C]5(C)[CH]6CC=C7[CH](CC[CH](O[CH]8O[CH](CO[CH]9O[CH](CO)[CH](O)[CH](O)[CH]9O)[CH](O)[CH](O)[CH]8O)C7(C)C)[C]6(C)[CH](O)C[C]45C | InChi: | InChI=1S/C60H102O29/c1-23(9-13-35(57(4,5)79)88-55-50(89-54-49(78)43(72)38(67)29(20-63)84-54)45(74)40(69)31(86-55)22-81-52-47(76)42(71)37(66)28(19-62)83-52)24-15-16-58(6)32-12-10-25-26(60(32,8)33(64)17-59(24,58)7)11-14-34(56(25,2)3)87-53-48(77)44(73)39(68)30(85-53)21-80-51-46(75)41(70)36(65)27(18-61)82-51/h10,23-24,26-55,61-79H,9,11-22H2,1-8H3/t23-,24+,26+,27-,28-,29-,30+,31+,32-,33+,34-,35+,36+,37+,38+,39+,40+,41-,42-,43-,44-,45-,46+,47+,48+,49+,50+,51+,52+,53-,54-,55-,58-,59+,60-/m0/s1 | Definition date: | 2022-12-22 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | (2~{S},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{R})-6-[[(3~{S},8~{S},9~{R},10~{R},11~{R},13~{R},14~{S},17~{R})-17-[(2~{S},5~{R})-5-[(2~{S},3~{R},4~{S},5~{S},6~{R})-3-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-6-[[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol |
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![M2Q M2Q](https://data.pdbj.org/pdbjplus/data/cc/svg/M2Q.svg) | M2Q | Name: | (2S,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6S)-6-[(3R,6S)-6-[(3S,8S,9R,10R,11S,13R,14S,17S)-3-[(2R,3R,4S,5S,6S)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol | Formula: | C48 H82 O19 | SMILES: | C[CH](CC[CH](O[CH]1O[CH](CO[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)[CH](O)[CH](O)[CH]1O)C(C)(C)O)[CH]3CC[C]4(C)[CH]5CC=C6[CH](CC[CH](O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C6(C)C)[C]5(C)[CH](O)C[C]34C | InChi: | InChI=1S/C48H82O19/c1-21(9-13-31(45(4,5)61)67-43-40(60)37(57)34(54)27(65-43)20-62-41-38(58)35(55)32(52)25(18-49)63-41)22-15-16-46(6)28-12-10-23-24(48(28,8)29(51)17-47(22,46)7)11-14-30(44(23,2)3)66-42-39(59)36(56)33(53)26(19-50)64-42/h10,21-22,24-43,49-61H,9,11-20H2,1-8H3/t21-,22-,24+,25-,26-,27+,28-,29-,30-,31+,32+,33+,34+,35-,36-,37-,38+,39+,40+,41+,42-,43-,46-,47+,48-/m0/s1 | Definition date: | 2022-12-22 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | (2~{S},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(2~{R},3~{S},4~{S},5~{R},6~{S})-6-[(3~{R},6~{S})-6-[(3~{S},8~{S},9~{R},10~{R},11~{S},13~{R},14~{S},17~{S})-3-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-17-yl]-2-methyl-2-oxidanyl-heptan-3-yl]oxy-3,4,5-tris(oxidanyl)oxan-2-yl]methoxy]oxane-3,4,5-triol |
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![M7F M7F](https://data.pdbj.org/pdbjplus/data/cc/svg/M7F.svg) | M7F | Name: | (2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(3S,8S,9R,10S,11S,13R,14S,17S)-17-[(2S,5R)-5-[(2S,3R,4S,5R,6S)-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol | Formula: | C48 H82 O19 | SMILES: | C[CH](CC[CH](O[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O[CH]2O[CH](CO)[CH](O)[CH](O)[CH]2O)C(C)(C)O)[CH]3CC[C]4(C)[CH]5CC=C6[CH](CC[CH](O[CH]7O[CH](CO)[CH](O)[CH](O)[CH]7O)C6(C)C)[C]5(C)[CH](O)C[C]34C | InChi: | InChI=1S/C48H82O19/c1-21(9-13-31(45(4,5)61)66-43-40(37(58)34(55)27(20-51)64-43)67-42-39(60)36(57)33(54)26(19-50)63-42)22-15-16-46(6)28-12-10-23-24(48(28,8)29(52)17-47(22,46)7)11-14-30(44(23,2)3)65-41-38(59)35(56)32(53)25(18-49)62-41/h10,21-22,24-43,49-61H,9,11-20H2,1-8H3/t21-,22-,24-,25+,26+,27-,28-,29-,30-,31+,32+,33+,34-,35-,36-,37-,38+,39+,40+,41-,42-,43-,46-,47+,48-/m0/s1 | Definition date: | 2022-12-23 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | (2~{R},3~{S},4~{S},5~{R},6~{R})-2-(hydroxymethyl)-6-[[(3~{S},8~{S},9~{R},10~{S},11~{S},13~{R},14~{S},17~{S})-17-[(2~{S},5~{R})-5-[(2~{S},3~{R},4~{S},5~{R},6~{S})-6-(hydroxymethyl)-3-[(2~{S},3~{R},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxy-6-methyl-6-oxidanyl-heptan-2-yl]-4,4,9,13,14-pentamethyl-11-oxidanyl-2,3,7,8,10,11,12,15,16,17-decahydro-1~{H}-cyclopenta[a]phenanthren-3-yl]oxy]oxane-3,4,5-triol |
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![8JA 8JA](https://data.pdbj.org/pdbjplus/data/cc/svg/8JA.svg) | 8JA | Name: | N-[2,4-bis(oxidanylidene)-1H-pyrimidin-5-yl]-N'-oxidanyl-octanediamide | Formula: | C12 H18 N4 O5 | SMILES: | ONC(=O)CCCCCCC(=O)NC1=CNC(=O)NC1=O | InChi: | InChI=1S/C12H18N4O5/c17-9(5-3-1-2-4-6-10(18)16-21)14-8-7-13-12(20)15-11(8)19/h7,21H,1-6H2,(H,14,17)(H,16,18)(H2,13,15,19,20) | Definition date: | 2021-12-17 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | ~{N}-[2,4-bis(oxidanylidene)-1~{H}-pyrimidin-5-yl]-~{N}'-oxidanyl-octanediamide |
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![FJW FJW](https://data.pdbj.org/pdbjplus/data/cc/svg/FJW.svg) | FJW | Name: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine | Formula: | C20 H17 F N6 | SMILES: | Nc1nc(ncc1C2CC2)c3nn(Cc4ccccc4F)c5ncccc35 | InChi: | InChI=1S/C20H17FN6/c21-16-6-2-1-4-13(16)11-27-20-14(5-3-9-23-20)17(26-27)19-24-10-15(12-7-8-12)18(22)25-19/h1-6,9-10,12H,7-8,11H2,(H2,22,24,25) | Synonyms: | BAY 41-2272 | Definition date: | 2023-07-25 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | 5-cyclopropyl-2-[1-[(2-fluorophenyl)methyl]pyrazolo[3,4-b]pyridin-3-yl]pyrimidin-4-amine |
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![A1AQA A1AQA](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AQA.svg) | A1AQA | Name: | [(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone | Formula: | C11 H15 N3 O | SMILES: | CC1CCCCN1C(=O)c1cnccn1 | InChi: | InChI=1S/C11H15N3O/c1-9-4-2-3-7-14(9)11(15)10-8-12-5-6-13-10/h5-6,8-9H,2-4,7H2,1H3/t9-/m0/s1 | Definition date: | 2024-04-29 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | [(2S)-2-methylpiperidin-1-yl](pyrazin-2-yl)methanone |
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![A1AQB A1AQB](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AQB.svg) | A1AQB | Name: | (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one | Formula: | C10 H11 N3 O | SMILES: | Nc1cccc(c1)N1N=C(C)CC1=O | InChi: | InChI=1S/C10H11N3O/c1-7-5-10(14)13(12-7)9-4-2-3-8(11)6-9/h2-4,6H,5,11H2,1H3 | Definition date: | 2024-04-29 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | (2M)-2-(3-aminophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one |
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![A1AQE A1AQE](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AQE.svg) | A1AQE | Name: | methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate | Formula: | C13 H16 F N O2 | SMILES: | O=C(OC)C1(Cc2ccc(F)cc2)CCNC1 | InChi: | InChI=1S/C13H16FNO2/c1-17-12(16)13(6-7-15-9-13)8-10-2-4-11(14)5-3-10/h2-5,15H,6-9H2,1H3/t13-/m0/s1 | Definition date: | 2024-04-29 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | methyl (3R)-3-[(4-fluorophenyl)methyl]pyrrolidine-3-carboxylate |
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![A1AQJ A1AQJ](https://data.pdbj.org/pdbjplus/data/cc/svg/A1AQJ.svg) | A1AQJ | Name: | (3-hydroxyphenyl)(morpholin-4-yl)methanone | Formula: | C11 H13 N O3 | SMILES: | O=C(c1cccc(O)c1)N1CCOCC1 | InChi: | InChI=1S/C11H13NO3/c13-10-3-1-2-9(8-10)11(14)12-4-6-15-7-5-12/h1-3,8,13H,4-7H2 | Definition date: | 2024-04-29 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | (3-hydroxyphenyl)(morpholin-4-yl)methanone |
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![A1ARP A1ARP](https://data.pdbj.org/pdbjplus/data/cc/svg/A1ARP.svg) | A1ARP | Name: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide | Formula: | C27 H34 N6 O3 S | SMILES: | Cc1ncsc1c1ccc(CNC(=O)C2CC(O)CN2C(=O)C(n2cc(nn2)C2CC2)C(C)(C)C)cc1 | InChi: | InChI=1S/C27H34N6O3S/c1-16-23(37-15-29-16)19-7-5-17(6-8-19)12-28-25(35)22-11-20(34)13-32(22)26(36)24(27(2,3)4)33-14-21(30-31-33)18-9-10-18/h5-8,14-15,18,20,22,24,34H,9-13H2,1-4H3,(H,28,35)/t20-,22+,24-/m1/s1 | Definition date: | 2024-05-13 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | (4R)-1-[(2S)-2-(4-cyclopropyl-1H-1,2,3-triazol-1-yl)-3,3-dimethylbutanoyl]-4-hydroxy-N-{[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl}-L-prolinamide |
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![A1H1J A1H1J](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H1J.svg) | A1H1J | Name: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate | Formula: | C26 H26 Cl F N4 O3 | SMILES: | CN(N(Cc1cccc(Cl)c1F)C=N)C(=O)[CH](Cc2ccccc2)NC(=O)OCc3ccccc3 | InChi: | InChI=1S/C26H26ClFN4O3/c1-31(32(18-29)16-21-13-8-14-22(27)24(21)28)25(33)23(15-19-9-4-2-5-10-19)30-26(34)35-17-20-11-6-3-7-12-20/h2-14,18,23,29H,15-17H2,1H3,(H,30,34)/b29-18-/t23-/m0/s1 | Definition date: | 2023-12-22 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | (phenylmethyl) ~{N}-[(2~{S})-1-[[(3-chloranyl-2-fluoranyl-phenyl)methyl-(iminomethyl)amino]-methyl-amino]-1-oxidanylidene-3-phenyl-propan-2-yl]carbamate |
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![A1H7Y A1H7Y](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H7Y.svg) | A1H7Y | Name: | 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide | Formula: | C26 H22 N4 O3 | SMILES: | Cn1cnc(c2cc(ccc2C)C(=O)Nc3ccccc3)c1c4ccc5NC(=O)COc5c4 | InChi: | InChI=1S/C26H22N4O3/c1-16-8-9-18(26(32)28-19-6-4-3-5-7-19)12-20(16)24-25(30(2)15-27-24)17-10-11-21-22(13-17)33-14-23(31)29-21/h3-13,15H,14H2,1-2H3,(H,28,32)(H,29,31) | Definition date: | 2024-04-09 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | 4-methyl-3-[1-methyl-5-(3-oxidanylidene-4~{H}-1,4-benzoxazin-7-yl)imidazol-4-yl]-~{N}-phenyl-benzamide |
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![A1H7Z A1H7Z](https://data.pdbj.org/pdbjplus/data/cc/svg/A1H7Z.svg) | A1H7Z | Name: | 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one | Formula: | C25 H27 N3 O3 | SMILES: | Cc1onc(c2cc(CN3CCCCC3)ccc2C)c1c4ccc5NC(=O)COc5c4 | InChi: | InChI=1S/C25H27N3O3/c1-16-6-7-18(14-28-10-4-3-5-11-28)12-20(16)25-24(17(2)31-27-25)19-8-9-21-22(13-19)30-15-23(29)26-21/h6-9,12-13H,3-5,10-11,14-15H2,1-2H3,(H,26,29) | Definition date: | 2024-04-09 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | 7-[5-methyl-3-[2-methyl-5-(piperidin-1-ylmethyl)phenyl]-1,2-oxazol-4-yl]-4~{H}-1,4-benzoxazin-3-one |
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![A1LX6 A1LX6](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LX6.svg) | A1LX6 | Name: | (1S)-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine | Formula: | C17 H19 N O | SMILES: | CN1CCO[CH](c2ccccc2)c3ccccc3C1 | InChi: | InChI=1S/C17H19NO/c1-18-11-12-19-17(14-7-3-2-4-8-14)16-10-6-5-9-15(16)13-18/h2-10,17H,11-13H2,1H3/t17-/m0/s1 | Synonyms: | Nefopam | Definition date: | 2024-02-09 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | (1~{S})-5-methyl-1-phenyl-1,3,4,6-tetrahydro-2,5-benzoxazocine |
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![A1LYV A1LYV](https://data.pdbj.org/pdbjplus/data/cc/svg/A1LYV.svg) | A1LYV | Name: | (2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid | Formula: | C17 H13 F3 N2 O6 | SMILES: | OC(=O)C[CH](NC(=O)c1cccc(n1)c2ccc(OC(F)(F)F)cc2)C(O)=O | InChi: | InChI=1S/C17H13F3N2O6/c18-17(19,20)28-10-6-4-9(5-7-10)11-2-1-3-12(21-11)15(25)22-13(16(26)27)8-14(23)24/h1-7,13H,8H2,(H,22,25)(H,23,24)(H,26,27)/t13-/m0/s1 | Definition date: | 2024-03-07 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | (2~{S})-2-[[6-[4-(trifluoromethyloxy)phenyl]pyridin-2-yl]carbonylamino]butanedioic acid |
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![I6O I6O](https://data.pdbj.org/pdbjplus/data/cc/svg/I6O.svg) | I6O | Name: | 1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole | Formula: | C20 H27 N3 | SMILES: | C1CC(Cn2cc(nc2C2CCCN2)c2ccccc2)CCC1 | InChi: | InChI=1S/C20H27N3/c1-3-8-16(9-4-1)14-23-15-19(17-10-5-2-6-11-17)22-20(23)18-12-7-13-21-18/h2,5-6,10-11,15-16,18,21H,1,3-4,7-9,12-14H2/t18-/m0/s1 | Definition date: | 2023-07-28 | Last modified: | 2024-05-24 | Release date: | 2024-05-29 | Identifier: | 1-(cyclohexylmethyl)-4-phenyl-2-[(2S)-pyrrolidin-2-yl]-1H-imidazole |
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![07G 07G](https://data.pdbj.org/pdbjplus/data/cc/svg/07G.svg) | 07G | Name: | 3-[(1S)-2-(tert-butylamino)-1-{N-[(3,4-difluorophenyl)methyl]formamido}-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid | Formula: | C23 H22 Cl F2 N3 O4 | SMILES: | CC(C)(C)NC(=O)C(c1c2ccc(Cl)cc2[NH]c1C(=O)O)N(C=O)Cc1ccc(F)c(F)c1 | InChi: | InChI=1S/C23H22ClF2N3O4/c1-23(2,3)28-21(31)20(29(11-30)10-12-4-7-15(25)16(26)8-12)18-14-6-5-13(24)9-17(14)27-19(18)22(32)33/h4-9,11,20,27H,10H2,1-3H3,(H,28,31)(H,32,33)/t20-/m0/s1 | Definition date: | 2011-09-26 | Last modified: | 2024-05-21 | Identifier: | 3-[(1S)-2-(tert-butylamino)-1-{N-[(3,4-difluorophenyl)methyl]formamido}-2-oxoethyl]-6-chloro-1H-indole-2-carboxylic acid |
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![Y74 Y74](https://data.pdbj.org/pdbjplus/data/cc/svg/Y74.svg) | Y74 | Name: | 2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid | Formula: | C34 H39 Cl N2 O10 | SMILES: | COc1ccc(C[CH]2NC(=O)C=CC[CH](OC(=O)[CH](CC(O)=O)OC(=O)C(C)(C)CNC2=O)[CH](C)[CH]3O[CH]3c4ccccc4)cc1Cl | InChi: | InChI=1S/C34H39ClN2O10/c1-19(29-30(47-29)21-9-6-5-7-10-21)24-11-8-12-27(38)37-23(16-20-13-14-25(44-4)22(35)15-20)31(41)36-18-34(2,3)33(43)46-26(17-28(39)40)32(42)45-24/h5-10,12-15,19,23-24,26,29-30H,11,16-18H2,1-4H3,(H,36,41)(H,37,38)(H,39,40)/t19-,23+,24?,26+,29-,30?/m1/s1 | Definition date: | 2023-11-23 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | 2-[(3~{S},10~{R},13~{E},16~{S})-10-[(3-chloranyl-4-methoxy-phenyl)methyl]-6,6-dimethyl-2,5,9,12-tetrakis(oxidanylidene)-16-[(1~{S})-1-[(2~{R},3~{R})-3-phenyloxiran-2-yl]ethyl]-1,4-dioxa-8,11-diazacyclohexadec-13-en-3-yl]ethanoic acid |
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![WF0 WF0](https://data.pdbj.org/pdbjplus/data/cc/svg/WF0.svg) | WF0 | Name: | 2-[[5-bromanyl-2-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol | Formula: | C17 H16 Br F4 N O2 | SMILES: | OCCNCc1cc(Br)ccc1OCc2ccc(F)c(c2)C(F)(F)F | InChi: | InChI=1S/C17H16BrF4NO2/c18-13-2-4-16(12(8-13)9-23-5-6-24)25-10-11-1-3-15(19)14(7-11)17(20,21)22/h1-4,7-8,23-24H,5-6,9-10H2 | Definition date: | 2023-05-12 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | 2-[[5-bromanyl-2-[[4-fluoranyl-3-(trifluoromethyl)phenyl]methoxy]phenyl]methylamino]ethanol |
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![WFT WFT](https://data.pdbj.org/pdbjplus/data/cc/svg/WFT.svg) | WFT | Name: | 3-azanyl-N-[(2S)-6-[(1S,5R)-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methyl-thieno[2,3-b]pyridine-2-carboxamide | Formula: | C25 H29 N5 O S | SMILES: | Cc1ccc2c(N)c(sc2n1)C(=O)N[CH]3CCc4cc(ccc4C3)N5C[CH]6CC[CH](C5)N6 | InChi: | InChI=1S/C25H29N5OS/c1-14-2-9-21-22(26)23(32-25(21)27-14)24(31)29-17-5-3-16-11-20(8-4-15(16)10-17)30-12-18-6-7-19(13-30)28-18/h2,4,8-9,11,17-19,28H,3,5-7,10,12-13,26H2,1H3,(H,29,31)/t17-,18-,19+/m0/s1 | Definition date: | 2023-05-12 | Last modified: | 2024-05-17 | Release date: | 2024-05-22 | Identifier: | 3-azanyl-~{N}-[(2~{S})-6-[(1~{S},5~{R})-3,8-diazabicyclo[3.2.1]octan-3-yl]-1,2,3,4-tetrahydronaphthalen-2-yl]-6-methyl-thieno[2,3-b]pyridine-2-carboxamide |
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