![Q9U Q9U](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9U.svg) | Q9U | Name: | 2-[4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2~{H}-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine | Formula: | C15 H19 N5 O S | SMILES: | Cc1[nH]c(c2CC(C)(C)CC(=O)c12)c3csc(N=C(N)N)n3 | InChi: | InChI=1S/C15H19N5OS/c1-7-11-8(4-15(2,3)5-10(11)21)12(18-7)9-6-22-14(19-9)20-13(16)17/h6,18H,4-5H2,1-3H3,(H4,16,17,19,20) | Definition date: | 2023-08-24 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | 2-[4-(3,6,6-trimethyl-4-oxidanylidene-5,7-dihydro-2~{H}-isoindol-1-yl)-1,3-thiazol-2-yl]guanidine |
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![QA5 QA5](https://data.pdbj.org/pdbjplus/data/cc/svg/QA5.svg) | QA5 | Name: | 2-[4-[4-ethanoyl-5-methyl-3-(3-methylbutyl)-1~{H}-pyrrol-2-yl]-1,3-thiazol-2-yl]guanidine | Formula: | C16 H23 N5 O S | SMILES: | CC(C)CCc1c([nH]c(C)c1C(C)=O)c2csc(N=C(N)N)n2 | InChi: | InChI=1S/C16H23N5OS/c1-8(2)5-6-11-13(10(4)22)9(3)19-14(11)12-7-23-16(20-12)21-15(17)18/h7-8,19H,5-6H2,1-4H3,(H4,17,18,20,21) | Definition date: | 2023-08-24 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | 2-[4-[4-ethanoyl-5-methyl-3-(3-methylbutyl)-1~{H}-pyrrol-2-yl]-1,3-thiazol-2-yl]guanidine |
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![QB9 QB9](https://data.pdbj.org/pdbjplus/data/cc/svg/QB9.svg) | QB9 | Name: | ~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide | Formula: | C10 H12 N4 O3 S | SMILES: | NC1=NC(=O)NC=C1C#CCN[S](=O)(=O)C2CC2 | InChi: | InChI=1S/C10H12N4O3S/c11-9-7(6-12-10(15)14-9)2-1-5-13-18(16,17)8-3-4-8/h6,8,13H,3-5H2,(H3,11,12,14,15) | Synonyms: | N-(3-(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-yn-1-yl)cyclopropanesulfonamide | Definition date: | 2023-08-29 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | ~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopropanesulfonamide |
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![QBI QBI](https://data.pdbj.org/pdbjplus/data/cc/svg/QBI.svg) | QBI | Name: | ~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopentanesulfonamide | Formula: | C12 H16 N4 O3 S | SMILES: | NC1=NC(=O)NC=C1C#CCN[S](=O)(=O)C2CCCC2 | InChi: | InChI=1S/C12H16N4O3S/c13-11-9(8-14-12(17)16-11)4-3-7-15-20(18,19)10-5-1-2-6-10/h8,10,15H,1-2,5-7H2,(H3,13,14,16,17) | Synonyms: | N-(3-(4-amino-2-oxo-1,2-dihydropyrimidin-5-yl)prop-2-yn-1-yl)cyclopentanesulfonamide | Definition date: | 2023-08-29 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | ~{N}-[3-(4-azanyl-2-oxidanylidene-1~{H}-pyrimidin-5-yl)prop-2-ynyl]cyclopentanesulfonamide |
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![QII QII](https://data.pdbj.org/pdbjplus/data/cc/svg/QII.svg) | QII | Name: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[(2~{R})-pyrrolidin-2-yl]ethyl]amino]-2-azanyl-butanoic acid | Formula: | C20 H32 N8 O5 | SMILES: | N[CH](CCN(CC[CH]1CCCN1)C[CH]2O[CH]([CH](O)[CH]2O)n3cnc4c(N)ncnc34)C(O)=O | InChi: | InChI=1S/C20H32N8O5/c21-12(20(31)32)4-7-27(6-3-11-2-1-5-23-11)8-13-15(29)16(30)19(33-13)28-10-26-14-17(22)24-9-25-18(14)28/h9-13,15-16,19,23,29-30H,1-8,21H2,(H,31,32)(H2,22,24,25)/t11-,12+,13-,15-,16-,19-/m1/s1 | Definition date: | 2023-08-29 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[2-[(2~{R})-pyrrolidin-2-yl]ethyl]amino]-2-azanyl-butanoic acid |
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![SDU SDU](https://data.pdbj.org/pdbjplus/data/cc/svg/SDU.svg) | SDU | Name: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{S})-pyrrolidin-3-yl]amino]-2-azanyl-butanoic acid | Formula: | C18 H28 N8 O5 | SMILES: | N[CH](CCN(C[CH]1O[CH]([CH](O)[CH]1O)n2cnc3c(N)ncnc23)[CH]4CCNC4)C(O)=O | InChi: | InChI=1S/C18H28N8O5/c19-10(18(29)30)2-4-25(9-1-3-21-5-9)6-11-13(27)14(28)17(31-11)26-8-24-12-15(20)22-7-23-16(12)26/h7-11,13-14,17,21,27-28H,1-6,19H2,(H,29,30)(H2,20,22,23)/t9-,10-,11+,13+,14+,17+/m0/s1 | Definition date: | 2023-08-30 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | (2~{S})-4-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl-[(3~{S})-pyrrolidin-3-yl]amino]-2-azanyl-butanoic acid |
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![SIK SIK](https://data.pdbj.org/pdbjplus/data/cc/svg/SIK.svg) | SIK | Name: | Bis-biotinylated Iron-porphyrin | Formula: | C48 H56 Fe N12 O12 S4 | SMILES: | O[S](=O)(=O)C[CH](NC(=O)CCCC[CH]1SC[CH]2NC(=O)N[CH]12)C(=O)NCC3=C4C=CC5=Cc6ccc7n6[Fe]([N]45)[N]8C(=Cc9nc3cc9)C=CC8=C7CNC(=O)[CH](C[S](O)(=O)=O)NC(=O)CCCC[CH]%10SC[CH]%11NC(=O)N[CH]%10%11 | InChi: | InChI=1S/C48H56N12O12S4.Fe/c61-41(7-3-1-5-39-43-35(21-73-39)57-47(65)59-43)55-37(23-75(67,68)69)45(63)49-19-29-31-13-9-25(51-31)17-27-11-15-33(53-27)30(34-16-12-28(54-34)18-26-10-14-32(29)52-26)20-50-46(64)38(24-76(70,71)72)56-42(62)8-4-2-6-40-44-36(22-74-40)58-48(66)60-44 | Definition date: | 2023-08-28 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 |
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![UA0 UA0](https://data.pdbj.org/pdbjplus/data/cc/svg/UA0.svg) | UA0 | Name: | ~{N}-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethanamide | Formula: | C12 H15 Cl N2 O | SMILES: | Clc1cccc(NC(=O)CN2CCCC2)c1 | InChi: | InChI=1S/C12H15ClN2O/c13-10-4-3-5-11(8-10)14-12(16)9-15-6-1-2-7-15/h3-5,8H,1-2,6-7,9H2,(H,14,16) | Definition date: | 2023-08-31 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | ~{N}-(3-chlorophenyl)-2-pyrrolidin-1-yl-ethanamide |
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![UAO UAO](https://data.pdbj.org/pdbjplus/data/cc/svg/UAO.svg) | UAO | Name: | (5~{S})-5-(1~{H}-indol-2-yl)pyrrolidin-2-one | Formula: | C12 H12 N2 O | SMILES: | O=C1CC[CH](N1)c2[nH]c3ccccc3c2 | InChi: | InChI=1S/C12H12N2O/c15-12-6-5-10(14-12)11-7-8-3-1-2-4-9(8)13-11/h1-4,7,10,13H,5-6H2,(H,14,15)/t10-/m0/s1 | Definition date: | 2023-08-31 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | (5~{S})-5-(1~{H}-indol-2-yl)pyrrolidin-2-one |
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![UCQ UCQ](https://data.pdbj.org/pdbjplus/data/cc/svg/UCQ.svg) | UCQ | Name: | (2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid | Formula: | C9 H15 N3 O2 | SMILES: | CN(C)[CH](Cc1cncn1C)C(O)=O | InChi: | InChI=1S/C9H15N3O2/c1-11(2)8(9(13)14)4-7-5-10-6-12(7)3/h5-6,8H,4H2,1-3H3,(H,13,14)/t8-/m0/s1 | Definition date: | 2023-09-04 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | (2~{S})-2-(dimethylamino)-3-(3-methylimidazol-4-yl)propanoic acid |
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![UHO UHO](https://data.pdbj.org/pdbjplus/data/cc/svg/UHO.svg) | UHO | Name: | 2-[[3-[[phenylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenyl]amino]ethanoic acid | Formula: | C23 H25 N3 O6 S2 | SMILES: | N[S](=O)(=O)c1ccc(CCN(Cc2cccc(NCC(O)=O)c2)[S](=O)(=O)c3ccccc3)cc1 | InChi: | InChI=1S/C23H25N3O6S2/c24-33(29,30)21-11-9-18(10-12-21)13-14-26(34(31,32)22-7-2-1-3-8-22)17-19-5-4-6-20(15-19)25-16-23(27)28/h1-12,15,25H,13-14,16-17H2,(H,27,28)(H2,24,29,30) | Definition date: | 2023-09-05 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | 2-[[3-[[phenylsulfonyl-[2-(4-sulfamoylphenyl)ethyl]amino]methyl]phenyl]amino]ethanoic acid |
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![UIE UIE](https://data.pdbj.org/pdbjplus/data/cc/svg/UIE.svg) | UIE | Name: | 2-[[3-[[phenylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid | Formula: | C22 H23 N3 O6 S2 | SMILES: | N[S](=O)(=O)c1ccc(CN(Cc2cccc(NCC(O)=O)c2)[S](=O)(=O)c3ccccc3)cc1 | InChi: | InChI=1S/C22H23N3O6S2/c23-32(28,29)20-11-9-17(10-12-20)15-25(33(30,31)21-7-2-1-3-8-21)16-18-5-4-6-19(13-18)24-14-22(26)27/h1-13,24H,14-16H2,(H,26,27)(H2,23,28,29) | Definition date: | 2023-09-05 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | 2-[[3-[[phenylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid |
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![UII UII](https://data.pdbj.org/pdbjplus/data/cc/svg/UII.svg) | UII | Name: | 2-[[3-[[methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid | Formula: | C17 H21 N3 O6 S2 | SMILES: | C[S](=O)(=O)N(Cc1ccc(cc1)[S](N)(=O)=O)Cc2cccc(NCC(O)=O)c2 | InChi: | InChI=1S/C17H21N3O6S2/c1-27(23,24)20(11-13-5-7-16(8-6-13)28(18,25)26)12-14-3-2-4-15(9-14)19-10-17(21)22/h2-9,19H,10-12H2,1H3,(H,21,22)(H2,18,25,26) | Definition date: | 2023-09-05 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | 2-[[3-[[methylsulfonyl-[(4-sulfamoylphenyl)methyl]amino]methyl]phenyl]amino]ethanoic acid |
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![UKO UKO](https://data.pdbj.org/pdbjplus/data/cc/svg/UKO.svg) | UKO | Name: | ~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide | Formula: | C14 H18 N4 O3 S2 | SMILES: | NC1=NC(=O)N(C=C1C#CCN[S](=O)(=O)C2CC2)[CH]3CCCS3 | InChi: | InChI=1S/C14H18N4O3S2/c15-13-10(3-1-7-16-23(20,21)11-5-6-11)9-18(14(19)17-13)12-4-2-8-22-12/h9,11-12,16H,2,4-8H2,(H2,15,17,19)/t12-/m1/s1 | Definition date: | 2023-09-06 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | ~{N}-[3-[4-azanyl-2-oxidanylidene-1-[(2~{R})-thiolan-2-yl]pyrimidin-5-yl]prop-2-ynyl]cyclopropanesulfonamide |
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![V2I V2I](https://data.pdbj.org/pdbjplus/data/cc/svg/V2I.svg) | V2I | Name: | ethyl (4~{S})-6-methyl-2-oxidanylidene-4-(4-sulfamoylphenyl)-3,4-dihydro-1~{H}-pyrimidine-5-carboxylate | Formula: | C14 H17 N3 O5 S | SMILES: | CCOC(=O)C1=C(C)NC(=O)N[CH]1c2ccc(cc2)[S](N)(=O)=O | InChi: | InChI=1S/C14H17N3O5S/c1-3-22-13(18)11-8(2)16-14(19)17-12(11)9-4-6-10(7-5-9)23(15,20)21/h4-7,12H,3H2,1-2H3,(H2,15,20,21)(H2,16,17,19)/t12-/m0/s1 | Definition date: | 2023-09-07 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | ethyl (4~{S})-6-methyl-2-oxidanylidene-4-(4-sulfamoylphenyl)-3,4-dihydro-1~{H}-pyrimidine-5-carboxylate |
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![W2H W2H](https://data.pdbj.org/pdbjplus/data/cc/svg/W2H.svg) | W2H | Name: | (2~{S})-~{N}-[3-(4-azanylquinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide | Formula: | C19 H19 N5 O3 S | SMILES: | Nc1ncnc2cc(ccc12)c3cccc(c3)[S](=O)(=O)NC(=O)[CH]4CCCN4 | InChi: | InChI=1S/C19H19N5O3S/c20-18-15-7-6-13(10-17(15)22-11-23-18)12-3-1-4-14(9-12)28(26,27)24-19(25)16-5-2-8-21-16/h1,3-4,6-7,9-11,16,21H,2,5,8H2,(H,24,25)(H2,20,22,23)/t16-/m1/s1 | Definition date: | 2023-09-14 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | (2~{S})-~{N}-[3-(4-azanylquinazolin-7-yl)phenyl]sulfonylpyrrolidine-2-carboxamide |
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![W3T W3T](https://data.pdbj.org/pdbjplus/data/cc/svg/W3T.svg) | W3T | Name: | [2-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-oxidanylidene-ethyl] (3~{S})-3-azanyl-4-oxidanylidene-butanoate | Formula: | C39 H38 F3 N7 O6 | SMILES: | N[CH](CC(=O)OCC(=O)N1[CH]2CC[CH]1CN(C2)c3nc(OC[C]45CCCN4C[CH](F)C5)nc6c(F)c(ncc36)c7cc(O)cc8ccc(F)c(C#C)c78)C=O | InChi: | InChI=1S/C39H38F3N7O6/c1-2-27-30(41)7-4-21-10-26(51)12-28(33(21)27)35-34(42)36-29(14-44-35)37(46-38(45-36)55-20-39-8-3-9-48(39)15-22(40)13-39)47-16-24-5-6-25(17-47)49(24)31(52)19-54-32(53)11-23(43)18-50/h1,4,7,10,12,14,18,22-25,51H,3,5-6,8-9,11,13,15-17,19-20,43H2/t22-,23+,24-,25+,39+/m1/s1 | Definition date: | 2023-09-19 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | [2-[(1~{S},5~{R})-3-[7-(8-ethynyl-7-fluoranyl-3-oxidanyl-naphthalen-1-yl)-8-fluoranyl-2-[[(2~{R},8~{S})-2-fluoranyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octan-8-yl]-2-oxidanylidene-ethyl] (3~{S})-3-azanyl-4-oxidanylidene-butanoate |
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![WCQ WCQ](https://data.pdbj.org/pdbjplus/data/cc/svg/WCQ.svg) | WCQ | Name: | (3~{E})-3-[[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]methylidene]oxolan-2-one | Formula: | C20 H24 N4 O4 | SMILES: | CCc1nc(N)nc(N)c1OCCCOc2ccccc2C=C3CCOC3=O | InChi: | InChI=1S/C20H24N4O4/c1-2-15-17(18(21)24-20(22)23-15)27-10-5-9-26-16-7-4-3-6-13(16)12-14-8-11-28-19(14)25/h3-4,6-7,12H,2,5,8-11H2,1H3,(H4,21,22,23,24)/b14-12+ | Definition date: | 2023-09-28 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | (3~{E})-3-[[2-[3-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]oxypropoxy]phenyl]methylidene]oxolan-2-one |
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![WJI WJI](https://data.pdbj.org/pdbjplus/data/cc/svg/WJI.svg) | WJI | Name: | (1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxamide | Formula: | C19 H23 Br N4 O | SMILES: | CC(C)CC1C(C(=O)Nc2nc(Br)c(cc2)c2ncccn2)C1(C)C | InChi: | InChI=1S/C19H23BrN4O/c1-11(2)10-13-15(19(13,3)4)18(25)24-14-7-6-12(16(20)23-14)17-21-8-5-9-22-17/h5-9,11,13,15H,10H2,1-4H3,(H,23,24,25)/t13-,15+/m0/s1 | Definition date: | 2023-10-05 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | (1S,3S)-N-[6-bromo-5-(pyrimidin-2-yl)pyridin-2-yl]-2,2-dimethyl-3-(2-methylpropyl)cyclopropane-1-carboxamide |
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![WM8 WM8](https://data.pdbj.org/pdbjplus/data/cc/svg/WM8.svg) | WM8 | Name: | 2-(4-chloranyl-3,5-dimethyl-phenoxy)-~{N}-propan-2-yl-ethanamide | Formula: | C13 H18 Cl N O2 | SMILES: | CC(C)NC(=O)COc1cc(C)c(Cl)c(C)c1 | InChi: | InChI=1S/C13H18ClNO2/c1-8(2)15-12(16)7-17-11-5-9(3)13(14)10(4)6-11/h5-6,8H,7H2,1-4H3,(H,15,16) | Definition date: | 2023-10-10 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | 2-(4-chloranyl-3,5-dimethyl-phenoxy)-~{N}-propan-2-yl-ethanamide |
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![WO8 WO8](https://data.pdbj.org/pdbjplus/data/cc/svg/WO8.svg) | WO8 | Name: | (5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[(4-{1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}piperidine-1-carbonyl)amino]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid | Formula: | C46 H50 Cl N7 O11 S2 | SMILES: | O=C1NC(=O)CCC1N1c2ccc(cc2N(C)C1=O)C1CCN(CC1)C(=O)Nc1cccc(c1)CS(=O)(=O)N1CCC(CC1(C)C)Nc1cccc(c1)c1sc(c(OCC(=O)O)c1Cl)C(=O)O | InChi: | InChI=1S/C46H50ClN7O11S2/c1-46(2)23-32(48-31-9-5-7-29(21-31)40-38(47)39(65-24-37(56)57)41(66-40)43(59)60)16-19-53(46)67(63,64)25-26-6-4-8-30(20-26)49-44(61)52-17-14-27(15-18-52)28-10-11-33-35(22-28)51(3)45(62)54(33)34-12-13-36(55)50-42(34)58/h4-11,20-22,27,32,34,48H,12-19,23-25H2,1-3H3,(H,49,61)(H,56,57)(H,59,60)(H,50,55,58)/t32-,34+/m0/s1 | Definition date: | 2023-10-09 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | (5P)-3-(carboxymethoxy)-4-chloro-5-(3-{[(4S)-1-({3-[(4-{1-[(3R)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-5-yl}piperidine-1-carbonyl)amino]phenyl}methanesulfonyl)-2,2-dimethylpiperidin-4-yl]amino}phenyl)thiophene-2-carboxylic acid |
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![XF0 XF0](https://data.pdbj.org/pdbjplus/data/cc/svg/XF0.svg) | XF0 | Name: | 2-(4-bromanyl-3-methyl-phenoxy)-~{N}-propyl-ethanamide | Formula: | C12 H16 Br N O2 | SMILES: | CCCNC(=O)COc1ccc(Br)c(C)c1 | InChi: | InChI=1S/C12H16BrNO2/c1-3-6-14-12(15)8-16-10-4-5-11(13)9(2)7-10/h4-5,7H,3,6,8H2,1-2H3,(H,14,15) | Definition date: | 2023-10-31 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | 2-(4-bromanyl-3-methyl-phenoxy)-~{N}-propyl-ethanamide |
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![XP3 XP3](https://data.pdbj.org/pdbjplus/data/cc/svg/XP3.svg) | XP3 | Name: | (5~{R})-2-(hydroxymethyl)-3-[(~{E})-non-3-enyl]-5-oxidanyl-cyclohex-2-en-1-one | Formula: | C16 H26 O3 | SMILES: | CCCCCC=CCCC1=C(CO)C(=O)C[CH](O)C1 | InChi: | InChI=1S/C16H26O3/c1-2-3-4-5-6-7-8-9-13-10-14(18)11-16(19)15(13)12-17/h6-7,14,17-18H,2-5,8-12H2,1H3 | Definition date: | 2023-11-07 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | (5~{R})-2-(hydroxymethyl)-3-[(~{E})-non-3-enyl]-5-oxidanyl-cyclohex-2-en-1-one |
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![Y9W Y9W](https://data.pdbj.org/pdbjplus/data/cc/svg/Y9W.svg) | Y9W | Name: | 2-[(~{E})-4-[6-(methylamino)pyridin-3-yl]but-1-en-3-ynyl]-1,3-benzothiazol-6-ol | Formula: | C17 H13 N3 O S | SMILES: | CNc1ccc(cn1)C#CC=Cc2sc3cc(O)ccc3n2 | InChi: | InChI=1S/C17H13N3OS/c1-18-16-9-6-12(11-19-16)4-2-3-5-17-20-14-8-7-13(21)10-15(14)22-17/h3,5-11,21H,1H3,(H,18,19)/b5-3+ | Definition date: | 2023-11-28 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | 2-[(~{E})-4-[6-(methylamino)pyridin-3-yl]but-1-en-3-ynyl]-1,3-benzothiazol-6-ol |
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![YA9 YA9](https://data.pdbj.org/pdbjplus/data/cc/svg/YA9.svg) | YA9 | Name: | 4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid | Formula: | C32 H24 N6 O6 S2 | SMILES: | Nc1c(cc(c2ccccc12)[S](O)(=O)=O)N=Nc3ccc(cc3)c4ccc(cc4)N=Nc5cc(c6ccccc6c5N)[S](O)(=O)=O | InChi: | InChI=1S/C32H24N6O6S2/c33-31-25-7-3-1-5-23(25)29(45(39,40)41)17-27(31)37-35-21-13-9-19(10-14-21)20-11-15-22(16-12-20)36-38-28-18-30(46(42,43)44)24-6-2-4-8-26(24)32(28)34/h1-18H,33-34H2,(H,39,40,41)(H,42,43,44)/b37-35+,38-36+ | Definition date: | 2023-11-28 | Last modified: | 2024-09-06 | Release date: | 2024-09-11 | Identifier: | 4-azanyl-3-[(~{E})-[4-[4-[(~{E})-(1-azanyl-4-sulfo-naphthalen-2-yl)diazenyl]phenyl]phenyl]diazenyl]naphthalene-1-sulfonic acid |
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