 | | A1AP9 | | Name: | (5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione | | Formula: | C7 H11 N3 O2 | | SMILES: | O=C1NC(=O)NC21CCCNC2 | | InChi: | InChI=1S/C7H11N3O2/c11-5-7(10-6(12)9-5)2-1-3-8-4-7/h8H,1-4H2,(H2,9,10,11,12)/t7-/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (5S)-1,3,7-triazaspiro[4.5]decane-2,4-dione |
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 | | 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 | | 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 | | 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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 | | A1AQF | | Name: | (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile | | Formula: | C5 H7 N O2 S | | SMILES: | N#CC1CCS(=O)(=O)C1 | | InChi: | InChI=1S/C5H7NO2S/c6-3-5-1-2-9(7,8)4-5/h5H,1-2,4H2/t5-/m0/s1 | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (3S)-1,1-dioxo-1lambda~6~-thiolane-3-carbonitrile |
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 | | A1AQI | | Name: | 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine | | Formula: | C10 H13 N3 | | SMILES: | CC(C)n1c2ccccc2nc1N | | InChi: | InChI=1S/C10H13N3/c1-7(2)13-9-6-4-3-5-8(9)12-10(13)11/h3-7H,1-2H3,(H2,11,12) | | Definition date: | 2024-04-29 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 1-(propan-2-yl)-1H-1,3-benzimidazol-2-amine |
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 | | 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 | | 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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 | | A1ASB | | Name: | (1Z)-N-hydroxy-2-methylpropanimidamide | | Formula: | C4 H10 N2 O | | SMILES: | CC(C)C(=N)NO | | InChi: | InChI=1S/C4H10N2O/c1-3(2)4(5)6-7/h3,7H,1-2H3,(H2,5,6) | | Definition date: | 2024-05-15 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (1Z)-N-hydroxy-2-methylpropanimidamide |
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 | | 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 | | 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 | | 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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 | | 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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 | | KBU | | Name: | 4-chloro-1H-benzimidazole | | Formula: | C7 H5 Cl N2 | | SMILES: | Clc1cccc2[NH]cnc21 | | InChi: | InChI=1S/C7H5ClN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10) | | Definition date: | 2023-08-10 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 4-chloro-1H-benzimidazole |
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 | | KCC | | Name: | N-methylquinoxalin-2-amine | | Formula: | C9 H9 N3 | | SMILES: | CNc1cnc2ccccc2n1 | | InChi: | InChI=1S/C9H9N3/c1-10-9-6-11-7-4-2-3-5-8(7)12-9/h2-6H,1H3,(H,10,12) | | Definition date: | 2023-08-10 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | N-methylquinoxalin-2-amine |
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 | | 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 | | 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 | | 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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 | | 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 | | 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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 | | V7U | | Name: | 2,4-dinitroaniline | | Formula: | C6 H5 N3 O4 | | SMILES: | Nc1ccc(cc1[N+]([O-])=O)[N+]([O-])=O | | InChi: | InChI=1S/C6H5N3O4/c7-5-2-1-4(8(10)11)3-6(5)9(12)13/h1-3H,7H2 | | Definition date: | 2023-07-10 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 2,4-dinitroaniline |
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 | | V8C | | Name: | 5-aminocarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate | | Formula: | C25 H23 N3 O4 | | SMILES: | CN(C)c1ccc2c(OC3=CC(C=CC3=C2c4ccc(cc4C([O-])=O)C(N)=O)=[N+](C)C)c1 | | InChi: | InChI=1S/C25H23N3O4/c1-27(2)15-6-9-18-21(12-15)32-22-13-16(28(3)4)7-10-19(22)23(18)17-8-5-14(24(26)29)11-20(17)25(30)31/h5-13H,1-4H3,(H2-,26,29,30,31) | | Definition date: | 2023-07-10 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | 5-aminocarbonyl-2-[3-(dimethylamino)-6-dimethylazaniumylidene-xanthen-9-yl]benzoate |
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 | | VV9 | | Name: | (2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine | | Formula: | C16 H15 Br Cl N O3 S2 | | SMILES: | COc1ccc(cc1Br)[CH]2SCCN2[S](=O)(=O)c3ccc(Cl)cc3 | | InChi: | InChI=1S/C16H15BrClNO3S2/c1-22-15-7-2-11(10-14(15)17)16-19(8-9-23-16)24(20,21)13-5-3-12(18)4-6-13/h2-7,10,16H,8-9H2,1H3/t16-/m0/s1 | | Synonyms: | BMS-986122 | | Definition date: | 2023-08-21 | | Last modified: | 2024-05-24 | | Release date: | 2024-05-29 | | Identifier: | (2~{S})-2-(3-bromanyl-4-methoxy-phenyl)-3-(4-chlorophenyl)sulfonyl-1,3-thiazolidine |
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 | | 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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 | | 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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