![R6M R6M](https://data.pdbj.org/pdbjplus/data/cc/svg/R6M.svg) | R6M | Name: | N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide | Formula: | C27 H34 F2 N6 O2 S | SMILES: | c1(c(ccc(c1)Nc4c(C)cnc(Nc3ccc(C2CCN(C)CC2)c(c3)F)n4)F)NS(C(C)(C)C)(=O)=O | InChi: | InChI=1S/C27H34F2N6O2S/c1-17-16-30-26(32-19-6-8-21(23(29)14-19)18-10-12-35(5)13-11-18)33-25(17)31-20-7-9-22(28)24(15-20)34-38(36,37)27(2,3)4/h6-9,14-16,18,34H,10-13H2,1-5H3,(H2,30,31,32,33) | Definition date: | 2020-02-03 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | N-{2-fluoro-5-[(2-{[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]amino}-5-methylpyrimidin-4-yl)amino]phenyl}-2-methylpropane-2-sulfonamide |
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![R6P R6P](https://data.pdbj.org/pdbjplus/data/cc/svg/R6P.svg) | R6P | Name: | (3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile | Formula: | C28 H32 N8 | SMILES: | c5c(c2c1c(ncc1)nc(n2)Nc4ccc(C3CCNCC3)cc4)cnn5C(CC#N)C6CCCC6 | InChi: | InChI=1S/C28H32N8/c29-13-9-25(21-3-1-2-4-21)36-18-22(17-32-36)26-24-12-16-31-27(24)35-28(34-26)33-23-7-5-19(6-8-23)20-10-14-30-15-11-20/h5-8,12,16-18,20-21,25,30H,1-4,9-11,14-15H2,(H2,31,33,34,35)/t25-/m0/s1 | Definition date: | 2020-02-03 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | (3S)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile |
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![R6S R6S](https://data.pdbj.org/pdbjplus/data/cc/svg/R6S.svg) | R6S | Name: | N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine | Formula: | C29 H37 F N6 O2 S | SMILES: | c5c(Nc3nc(Nc2ccc(C1CCN(CC1)C)c(c2)F)ncc3C)cc4c(CCN4S(C(C)(C)C)(=O)=O)c5 | InChi: | InChI=1S/C29H37FN6O2S/c1-19-18-31-28(33-22-8-9-24(25(30)16-22)20-10-13-35(5)14-11-20)34-27(19)32-23-7-6-21-12-15-36(26(21)17-23)39(37,38)29(2,3)4/h6-9,16-18,20H,10-15H2,1-5H3,(H2,31,32,33,34) | Definition date: | 2020-02-03 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | N~4~-[1-(tert-butylsulfonyl)-2,3-dihydro-1H-indol-6-yl]-N~2~-[3-fluoro-4-(1-methylpiperidin-4-yl)phenyl]-5-methylpyrimidine-2,4-diamine |
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![R6V R6V](https://data.pdbj.org/pdbjplus/data/cc/svg/R6V.svg) | R6V | Name: | (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile | Formula: | C28 H32 N8 | SMILES: | c5c(c3nc(Nc2ccc(C1CCNCC1)cc2)nc4nccc34)cnn5C(CC#N)C6CCCC6 | InChi: | InChI=1S/C28H32N8/c29-13-9-25(21-3-1-2-4-21)36-18-22(17-32-36)26-24-12-16-31-27(24)35-28(34-26)33-23-7-5-19(6-8-23)20-10-14-30-15-11-20/h5-8,12,16-18,20-21,25,30H,1-4,9-11,14-15H2,(H2,31,33,34,35)/t25-/m1/s1 | Definition date: | 2020-02-03 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | (3R)-3-cyclopentyl-3-[4-(2-{[4-(piperidin-4-yl)phenyl]amino}-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile |
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![RG4 RG4](https://data.pdbj.org/pdbjplus/data/cc/svg/RG4.svg) | RG4 | Name: | (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile | Formula: | C17 H18 N6 | SMILES: | c4(c1ncnc2nccc12)cnn(C(CC#N)C3CCCC3)c4 | InChi: | InChI=1S/C17H18N6/c18-7-5-15(12-3-1-2-4-12)23-10-13(9-22-23)16-14-6-8-19-17(14)21-11-20-16/h6,8-12,15H,1-5H2,(H,19,20,21)/t15-/m0/s1 | Definition date: | 2020-02-12 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | (3S)-3-cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile |
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![RV2 RV2](https://data.pdbj.org/pdbjplus/data/cc/svg/RV2.svg) | RV2 | Name: | 5-Chloro-2-[[2-[3-(furan-3-yl)anilino]-2-oxoacetyl]amino]benzoic acid | Formula: | C19 H13 Cl N2 O5 | SMILES: | OC(=O)c1cc(Cl)ccc1NC(=O)C(=O)Nc2cccc(c2)c3cocc3 | InChi: | InChI=1S/C19H13ClN2O5/c20-13-4-5-16(15(9-13)19(25)26)22-18(24)17(23)21-14-3-1-2-11(8-14)12-6-7-27-10-12/h1-10H,(H,21,23)(H,22,24)(H,25,26) | Synonyms: | 5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid | Definition date: | 2020-10-21 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | 5-chloranyl-2-[[2-[[3-(furan-3-yl)phenyl]amino]-2-oxidanylidene-ethanoyl]amino]benzoic acid |
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![RZB RZB](https://data.pdbj.org/pdbjplus/data/cc/svg/RZB.svg) | RZB | Name: | (3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid | Formula: | C17 H16 Cl N5 O3 | SMILES: | N[CH](Cn1nnc(n1)c2ccc(Oc3ccc(Cl)cc3)cc2)CC(O)=O | InChi: | InChI=1S/C17H16ClN5O3/c18-12-3-7-15(8-4-12)26-14-5-1-11(2-6-14)17-20-22-23(21-17)10-13(19)9-16(24)25/h1-8,13H,9-10,19H2,(H,24,25)/t13-/m1/s1 | Definition date: | 2020-11-04 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | (3~{R})-3-azanyl-4-[5-[4-(4-chloranylphenoxy)phenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid |
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![RZE RZE](https://data.pdbj.org/pdbjplus/data/cc/svg/RZE.svg) | RZE | Name: | (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid | Formula: | C16 H14 Cl F N6 O3 | SMILES: | N[CH](Cn1nnc(n1)c2ccc(Oc3ncc(Cl)cc3F)cc2)CC(O)=O | InChi: | InChI=1S/C16H14ClFN6O3/c17-10-5-13(18)16(20-7-10)27-12-3-1-9(2-4-12)15-21-23-24(22-15)8-11(19)6-14(25)26/h1-5,7,11H,6,8,19H2,(H,25,26)/t11-/m0/s1 | Definition date: | 2020-11-04 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | (3~{S})-3-azanyl-4-[5-[4-(5-chloranyl-3-fluoranyl-pyridin-2-yl)oxyphenyl]-1,2,3,4-tetrazol-2-yl]butanoic acid |
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![RZK RZK](https://data.pdbj.org/pdbjplus/data/cc/svg/RZK.svg) | RZK | Name: | 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine | Formula: | C10 H13 N5 O | SMILES: | COc1ccc(cc1)c2nnn(CCN)n2 | InChi: | InChI=1S/C10H13N5O/c1-16-9-4-2-8(3-5-9)10-12-14-15(13-10)7-6-11/h2-5H,6-7,11H2,1H3 | Definition date: | 2020-11-04 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | 2-[5-(4-methoxyphenyl)-1,2,3,4-tetrazol-2-yl]ethanamine |
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![MXB MXB](https://data.pdbj.org/pdbjplus/data/cc/svg/MXB.svg) | MXB | Name: | (R,E)-2-(hydroxyimino)-N-(3-(4-((2-methyl-1H-imidazol-1-yl)methyl)-1H-1,2,3-triazol-1-yl)-1-phenylpropyl)acetamide | Formula: | C18 H21 N7 O2 | SMILES: | Cc1nccn1Cc2cn(CC[CH](NC(=O)C=NO)c3ccccc3)nn2 | InChi: | InChI=1S/C18H21N7O2/c1-14-19-8-10-24(14)12-16-13-25(23-22-16)9-7-17(21-18(26)11-20-27)15-5-3-2-4-6-15/h2-6,8,10-11,13,17,27H,7,9,12H2,1H3,(H,21,26)/b20-11+/t17-/m1/s1 | Synonyms: | (2~{E})-2-hydroxyimino-~{N}-[(1~{R})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide | Definition date: | 2019-10-28 | Last modified: | 2021-02-12 | Release date: | 2020-07-15 | Identifier: | (2~{E})-2-hydroxyimino-~{N}-[(1~{R})-3-[4-[(2-methylimidazol-1-yl)methyl]-1,2,3-triazol-1-yl]-1-phenyl-propyl]ethanamide |
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![NWS NWS](https://data.pdbj.org/pdbjplus/data/cc/svg/NWS.svg) | NWS | Name: | Moco-AMP | Formula: | C20 H26 Mo N10 O15 P2 S2 | SMILES: | NC1=NC2=C(N[CH]3[CH](N2)O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56)C7=C3S[Mo](O)(O)(=O)S7)C(=O)N1 | InChi: | InChI=1S/C20H26N10O12P2S2.Mo.2H2O.O/c21-14-8-16(24-3-23-14)30(4-25-8)19-11(32)10(31)5(41-19)1-38-43(34,35)42-44(36,37)39-2-6-12(45)13(46)7-18(40-6)27-15-9(26-7)17(33)29-20(22)28-15 | Definition date: | 2018-12-03 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(1~{R},10~{R},16~{R})-5-azanyl-13,13-bis(oxidanyl)-7,13-bis(oxidanylidene)-17-oxa-12,14-dithia-2,4,6,9-tetraza-13$l^{6}-molybdatetracyclo[8.7.0.0^{3,8}.0^{11,15}]heptadeca-3(8),4,11(15)-trien-16-yl]methyl hydrogen phosphate |
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![O5Z O5Z](https://data.pdbj.org/pdbjplus/data/cc/svg/O5Z.svg) | O5Z | Name: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide | Formula: | C19 H22 Br N3 O3 | SMILES: | N[CH](Cc1ccccc1)C(=O)N2CCC[CH]2C(=O)NCc3oc(Br)cc3 | InChi: | InChI=1S/C19H22BrN3O3/c20-17-9-8-14(26-17)12-22-18(24)16-7-4-10-23(16)19(25)15(21)11-13-5-2-1-3-6-13/h1-3,5-6,8-9,15-16H,4,7,10-12,21H2,(H,22,24)/t15-,16+/m1/s1 | Definition date: | 2020-02-10 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | (2~{S})-1-[(2~{R})-2-azanyl-3-phenyl-propanoyl]-~{N}-[(5-bromanylfuran-2-yl)methyl]pyrrolidine-2-carboxamide |
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![V5V V5V](https://data.pdbj.org/pdbjplus/data/cc/svg/V5V.svg) | V5V | Name: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name) | Formula: | C24 H26 F2 N10 O8 P2 S2 | SMILES: | n1cn5c2ncnc(c12)NCC=CCNc8c3c(n(cn3)C7C(C6OP(S)(OCC4C(C(F)C5O4)OP(S)(=O)OCC6O7)=O)F)ncn8 | InChi: | InChI=1S/C24H26F2N10O8P2S2/c25-13-17-11-5-39-46(38,48)44-18-12(6-40-45(37,47)43-17)42-24(14(18)26)36-10-34-16-20(30-8-32-22(16)36)28-4-2-1-3-27-19-15-21(31-7-29-19)35(9-33-15)23(13)41-11/h1-2,7-14,17-18,23-24H,3-6H2,(H,37,47)(H,38,48)(H,27,29,31)(H,28,30,32)/b2-1+/t11-,12-,13-,14-,17-,18-,23-,24-,45-,46+/m1/s1 | Definition date: | 2020-07-01 | Last modified: | 2021-02-12 | Release date: | 2021-02-17 | Identifier: | (1R,3R,15E,28R,29R,30R,31R,34R,36R,39S,41R)-29,41-difluoro-34,39-disulfanyl-2,33,35,38,40,42-hexaoxa-4,6,9,11,13,18,20,22,25,27-decaaza-34,39-diphosphaoctacyclo[28.6.4.1~3,36~.1~28,31~.0~4,8~.0~7,12~.0~19,24~.0~23,27~]dotetraconta-5,7,9,11,15,19,21,23,25-nonaene 34,39-dioxide (non-preferred name) |
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![Q9E Q9E](https://data.pdbj.org/pdbjplus/data/cc/svg/Q9E.svg) | Q9E | Name: | (5S,8R)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-N,N-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide | Formula: | C23 H30 N4 O6 S | SMILES: | CN(C)C(=O)[CH]1CSCc2ccccc2C(=O)OC[CH](NC(=O)[CH]3CCCN3C(C)=O)C(=O)N1 | InChi: | InChI=1S/C23H30N4O6S/c1-14(28)27-10-6-9-19(27)21(30)24-17-11-33-23(32)16-8-5-4-7-15(16)12-34-13-18(25-20(17)29)22(31)26(2)3/h4-5,7-8,17-19H,6,9-13H2,1-3H3,(H,24,30)(H,25,29)/t17-,18-,19+/m1/s1 | Synonyms: | (5~{S},8~{R})-8-[[(2~{S})-1-ethanoyl-2,3-dihydropyrrol-2-yl]carbonylamino]-~{N},~{N}-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide | Definition date: | 2020-05-28 | Last modified: | 2021-02-07 | Release date: | 2020-12-30 | Identifier: | (5~{S},8~{R})-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-~{N},~{N}-dimethyl-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-5-carboxamide |
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![WF7 WF7](https://data.pdbj.org/pdbjplus/data/cc/svg/WF7.svg) | WF7 | Name: | N-{4-[(E)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide | Formula: | C24 H28 N8 O | SMILES: | n4c(C)cc(Nc3cc(N1CCN(C)CC1)nc([C@H]=[C@H]c2ccc(cc2)NC(=O)/C=C)n3)n4 | InChi: | InChI=1S/C24H28N8O/c1-4-24(33)25-19-8-5-18(6-9-19)7-10-20-26-21(27-22-15-17(2)29-30-22)16-23(28-20)32-13-11-31(3)12-14-32/h4-10,15-16H,1,11-14H2,2-3H3,(H,25,33)(H2,26,27,28,29,30)/b10-7+ | Definition date: | 2020-10-26 | Last modified: | 2021-02-05 | Release date: | 2021-02-10 | Identifier: | N-{4-[(E)-2-{4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1H-pyrazol-3-yl)amino]pyrimidin-2-yl}ethenyl]phenyl}prop-2-enamide |
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![WFD WFD](https://data.pdbj.org/pdbjplus/data/cc/svg/WFD.svg) | WFD | Name: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one | Formula: | C27 H34 N8 O | SMILES: | CN1CCN(CC1)c2nc(nc(c2)Nc3cc(C)nn3)c4ccc(cc4)C5CCN(CC5)C(/C=C)=O | InChi: | InChI=1S/C27H34N8O/c1-4-26(36)35-11-9-21(10-12-35)20-5-7-22(8-6-20)27-29-23(28-24-17-19(2)31-32-24)18-25(30-27)34-15-13-33(3)14-16-34/h4-8,17-18,21H,1,9-16H2,2-3H3,(H2,28,29,30,31,32) | Definition date: | 2020-10-26 | Last modified: | 2021-02-05 | Release date: | 2021-02-10 | Identifier: | 1-[4-(4-{4-(4-methylpiperazin-1-yl)-6-[(3-methyl-1H-pyrazol-5-yl)amino]pyrimidin-2-yl}phenyl)piperidin-1-yl]prop-2-en-1-one |
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![GE0 GE0](https://data.pdbj.org/pdbjplus/data/cc/svg/GE0.svg) | GE0 | Name: | [[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3R)-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate | Formula: | C38 H68 N7 O17 P3 S | SMILES: | CCCCCCCCCCCCCCCC(=O)CSCCNC(=O)CCNC(=O)[CH](O)C(C)(C)CO[P](O)(=O)O[P](O)(=O)OC[CH]1O[CH]([CH](O)[CH]1O[P](O)(O)=O)n2cnc3c(N)ncnc23 | InChi: | InChI=1S/C38H68N7O17P3S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-27(46)23-66-21-20-40-29(47)18-19-41-36(50)33(49)38(2,3)24-59-65(56,57)62-64(54,55)58-22-28-32(61-63(51,52)53)31(48)37(60-28)45-26-44-30-34(39)42-25-43-35(30)45/h25-26,28,31-33,37,48-49H,4-24H2,1-3H3,(H,40,47)(H,41,50)(H,54,55)(H,56,57)(H2,39,42,43)(H2,51,52,53)/t28-,31-,32-,33+,37-/m1/s1 | Definition date: | 2020-08-20 | Last modified: | 2021-02-05 | Release date: | 2021-02-10 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-4-oxidanyl-3-phosphonooxy-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(3~{R})-2,2-dimethyl-3-oxidanyl-4-oxidanylidene-4-[[3-oxidanylidene-3-[2-(2-oxidanylideneheptadecylsulfanyl)ethylamino]propyl]amino]butyl] hydrogen phosphate |
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![XGD XGD](https://data.pdbj.org/pdbjplus/data/cc/svg/XGD.svg) | XGD | Name: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide | Formula: | C33 H32 N6 O5 S | SMILES: | N(C(=O)c1ccccc1n2nccn2)CCc5cc(NS(c4cc(c3cc(C(=O)N(C)C)ccc3)ccc4OC)(=O)=O)ccc5 | InChi: | InChI=1S/C33H32N6O5S/c1-38(2)33(41)26-10-7-9-24(21-26)25-14-15-30(44-3)31(22-25)45(42,43)37-27-11-6-8-23(20-27)16-17-34-32(40)28-12-4-5-13-29(28)39-35-18-19-36-39/h4-15,18-22,37H,16-17H2,1-3H3,(H,34,40) | Definition date: | 2020-12-16 | Last modified: | 2021-02-05 | Release date: | 2021-02-10 | Identifier: | 4'-methoxy-N,N-dimethyl-3'-{[3-(2-{[2-(2H-1,2,3-triazol-2-yl)benzene-1-carbonyl]amino}ethyl)phenyl]sulfamoyl}[1,1'-biphenyl]-3-carboxamide |
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![Y24 Y24](https://data.pdbj.org/pdbjplus/data/cc/svg/Y24.svg) | Y24 | Name: | 1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one) | Formula: | C30 H47 N5 O5 | SMILES: | CC(N1CCCC1=O)CC(CC(CC(N2CCCC2=O)CCN3CCCC3=O)N4C(=O)CCC4)N5CCCC5=O | InChi: | InChI=1S/C30H47N5O5/c1-22(32-14-3-8-27(32)37)19-24(34-16-5-10-29(34)39)21-25(35-17-6-11-30(35)40)20-23(33-15-4-9-28(33)38)12-18-31-13-2-7-26(31)36/h22-25H,2-21H2,1H3/t22-,23-,24+,25+/m1/s1 | Definition date: | 2021-01-27 | Last modified: | 2021-02-05 | Release date: | 2021-02-10 | Identifier: | 1,1',1'',1''',1''''-[(3R,5S,7S,9R)-decane-1,3,5,7,9-pentayl]penta(pyrrolidin-2-one) |
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![KKL KKL](https://data.pdbj.org/pdbjplus/data/cc/svg/KKL.svg) | KKL | Name: | 4-amino-N-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide | Formula: | C17 H12 N4 O2 | SMILES: | c1cc(ccc1C(Nc3nnc(c2ccc(cc2)C#C)o3)=O)N | InChi: | InChI=1S/C17H12N4O2/c1-2-11-3-5-13(6-4-11)16-20-21-17(23-16)19-15(22)12-7-9-14(18)10-8-12/h1,3-10H,18H2,(H,19,21,22) | Definition date: | 2019-04-19 | Last modified: | 2021-02-05 | Release date: | 2021-02-10 | Identifier: | 4-amino-N-[5-(4-ethynylphenyl)-1,3,4-oxadiazol-2-yl]benzamide |
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![H1X H1X](https://data.pdbj.org/pdbjplus/data/cc/svg/H1X.svg) | H1X | Name: | 2-[(5-tert-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid | Formula: | C18 H21 N O4 S | SMILES: | Cc1ccc(cc1[S](=O)(=O)Nc2ccccc2C(O)=O)C(C)(C)C | InChi: | InChI=1S/C18H21NO4S/c1-12-9-10-13(18(2,3)4)11-16(12)24(22,23)19-15-8-6-5-7-14(15)17(20)21/h5-11,19H,1-4H3,(H,20,21) | Definition date: | 2020-10-26 | Last modified: | 2021-02-05 | Release date: | 2021-02-10 | Identifier: | 2-[(5-~{tert}-butyl-2-methyl-phenyl)sulfonylamino]benzoic acid |
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![H29 H29](https://data.pdbj.org/pdbjplus/data/cc/svg/H29.svg) | H29 | Name: | 6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine | Formula: | C12 H13 N3 S | SMILES: | Nc1ccc(nc1)N2CCc3sccc3C2 | InChi: | InChI=1S/C12H13N3S/c13-10-1-2-12(14-7-10)15-5-3-11-9(8-15)4-6-16-11/h1-2,4,6-7H,3,5,8,13H2 | Definition date: | 2020-10-26 | Last modified: | 2021-02-05 | Release date: | 2021-02-10 | Identifier: | 6-(6,7-dihydro-4~{H}-thieno[3,2-c]pyridin-5-yl)pyridin-3-amine |
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![H2X H2X](https://data.pdbj.org/pdbjplus/data/cc/svg/H2X.svg) | H2X | Name: | 4-bromanyl-2-[[2-[(E)-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol | Formula: | C19 H23 Br N2 O2 | SMILES: | COc1cccc(c1)C(C)=NC(C)(C)NCc2cc(Br)ccc2O | InChi: | InChI=1S/C19H23BrN2O2/c1-13(14-6-5-7-17(11-14)24-4)22-19(2,3)21-12-15-10-16(20)8-9-18(15)23/h5-11,21,23H,12H2,1-4H3/b22-13+ | Definition date: | 2020-10-28 | Last modified: | 2021-02-05 | Release date: | 2021-02-10 | Identifier: | 4-bromanyl-2-[[2-[(~{E})-1-(3-methoxyphenyl)ethylideneamino]propan-2-ylamino]methyl]phenol |
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![H30 H30](https://data.pdbj.org/pdbjplus/data/cc/svg/H30.svg) | H30 | Name: | 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine | Formula: | C19 H25 N3 O | SMILES: | COc1cc2c(cc1C3=CCN(C)CCC3)N=C(N)C24CCC4 | InChi: | InChI=1S/C19H25N3O/c1-22-9-3-5-13(6-10-22)14-11-16-15(12-17(14)23-2)19(7-4-8-19)18(20)21-16/h6,11-12H,3-5,7-10H2,1-2H3,(H2,20,21) | Definition date: | 2020-10-29 | Last modified: | 2021-02-05 | Release date: | 2021-02-10 | Identifier: | 5'-methoxy-6'-(1-methyl-2,3,4,7-tetrahydroazepin-5-yl)spiro[cyclobutane-1,3'-indole]-2'-amine |
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![N7X N7X](https://data.pdbj.org/pdbjplus/data/cc/svg/N7X.svg) | N7X | Name: | 5'-O-[(R)-hydroxy(sulfanylidene)-lambda~5~-phosphanyl]-2'-O-(2-methoxyethyl)-5-methylcytidine | Formula: | C13 H22 N3 O8 P S | SMILES: | C(COC)OC1C(OC(C1O)COP(O)(O)=S)N2C(N=C(C(C)=C2)N)=O | InChi: | InChI=1S/C13H22N3O8PS/c1-7-5-16(13(18)15-11(7)14)12-10(22-4-3-21-2)9(17)8(24-12)6-23-25(19,20)26/h5,8-10,12,17H,3-4,6H2,1-2H3,(H2,14,15,18)(H2,19,20,26)/t8-,9-,10-,12-/m1/s1 | Definition date: | 2020-02-11 | Last modified: | 2021-02-05 | Release date: | 2021-02-10 | Identifier: | 2'-O-(2-methoxyethyl)-5-methyl-5'-O-thiophosphonocytidine |
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