![NKR NKR](https://data.pdbj.org/pdbjplus/data/cc/svg/NKR.svg) | NKR | Name: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate | Formula: | C25 H39 O7 P | SMILES: | O=P(OCC(O)COC(=O)CCC=C/C/C=C/C/C=C/CC=C/CC=C/CC=C/CC)(O)O | InChi: | InChI=1S/C25H39O7P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(27)31-22-24(26)23-32-33(28,29)30/h3-4,6-7,9-10,12-13,15-16,18-19,24,26H,2,5,8,11,14,17,20-23H2,1H3,(H2,28,29,30)/b4-3-,7-6-,10-9-,13-12+,16-15+,19-18-/t24-/m1/s1 | Synonyms: | 22:6 LPA | Definition date: | 2010-11-05 | Last modified: | 2021-03-13 | Identifier: | (2R)-2-hydroxy-3-(phosphonooxy)propyl (4Z,7E,10E,13Z,16Z,19Z)-docosa-4,7,10,13,16,19-hexaenoate |
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![NM8 NM8](https://data.pdbj.org/pdbjplus/data/cc/svg/NM8.svg) | NM8 | Name: | 6-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide | Formula: | C33 H29 F3 N4 O4 S | SMILES: | O=C1C(SC(=O)N1)=Cc6oc(c5cc4cccc(C(=O)Nc2cc(cc(c2)CN3CCN(CC)CC3)C(F)(F)F)c4cc5)cc6 | InChi: | InChI=1S/C33H29F3N4O4S/c1-2-39-10-12-40(13-11-39)19-20-14-23(33(34,35)36)17-24(15-20)37-30(41)27-5-3-4-21-16-22(6-8-26(21)27)28-9-7-25(44-28)18-29-31(42)38-32(43)45-29/h3-9,14-18H,2,10-13,19H2,1H3,(H,37,41)(H,38,42,43)/b29-18- | Synonyms: | (Z)-6-(5-((2,4-dioxothiazolidin-5-ylidene)methyl)furan-2-yl)-N-(3-((4-ethylpiperazin-1-yl)methyl)-5-(trifluoromethyl)phenyl)-1-naphthamide | Definition date: | 2011-01-25 | Last modified: | 2021-03-13 | Identifier: | 6-{5-[(Z)-(2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]furan-2-yl}-N-{3-[(4-ethylpiperazin-1-yl)methyl]-5-(trifluoromethyl)phenyl}naphthalene-1-carboxamide |
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![WEV WEV](https://data.pdbj.org/pdbjplus/data/cc/svg/WEV.svg) | WEV | Name: | (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose | Formula: | C35 H58 O9 | SMILES: | COC1C=CC=C(CC(C)C(C(C=C(C=C(C(OC1C(C)C(O)C(C)C2(CC(O)C(C(O2)C(C)C)C)O)=O)OC)C)C)O)C | InChi: | InChI=1S/C35H58O9/c1-19(2)32-24(7)27(36)18-35(40,44-32)26(9)31(38)25(8)33-28(41-10)14-12-13-20(3)15-22(5)30(37)23(6)16-21(4)17-29(42-11)34(39)43-33/h12-14,16-17,19,22-28,30-33,36-38,40H,15,18H2,1-11H3/b14-12+,20-13+,21-16+,29-17-/t22-,23-,24+,25+,26+,27-,28+,30+,31-,32-,33-,35-/m1/s1 | Definition date: | 2020-10-22 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | (5R)-2,4-dideoxy-1-C-{(2S,3R,4S)-3-hydroxy-4-[(2R,3S,4E,6E,9R,10S,11R,12E,14Z)-10-hydroxy-3,15-dimethoxy-7,9,11,13-tetramethyl-16-oxo-1-oxacyclohexadeca-4,6,12,14-tetraen-2-yl]pentan-2-yl}-4-methyl-5-propan-2-yl-alpha-D-threo-pentopyranose |
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![V2J V2J](https://data.pdbj.org/pdbjplus/data/cc/svg/V2J.svg) | V2J | Name: | 5'-O-[(S)-[(3S)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine | Formula: | C15 H21 N6 O8 P | SMILES: | c21n(cnc1c(ncn2)N)C4C(C(C(COP(=O)(O)N3CC(CC3)C(=O)O)O4)O)O | InChi: | InChI=1S/C15H21N6O8P/c16-12-9-13(18-5-17-12)21(6-19-9)14-11(23)10(22)8(29-14)4-28-30(26,27)20-2-1-7(3-20)15(24)25/h5-8,10-11,14,22-23H,1-4H2,(H,24,25)(H,26,27)(H2,16,17,18)/t7-,8+,10+,11+,14+/m0/s1 | Definition date: | 2020-06-19 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 5'-O-[(S)-[(3S)-3-carboxypyrrolidin-1-yl](hydroxy)phosphoryl]adenosine |
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![V2P V2P](https://data.pdbj.org/pdbjplus/data/cc/svg/V2P.svg) | V2P | Name: | (2~{S})-1-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]pyrrolidine-2-carboxylic acid | Formula: | C15 H21 N6 O8 P | SMILES: | C(C4N(P(O)(OCC3C(O)C(O)C(n1c2c(nc1)c(N)ncn2)O3)=O)CCC4)(O)=O | InChi: | InChI=1S/C15H21N6O8P/c16-12-9-13(18-5-17-12)20(6-19-9)14-11(23)10(22)8(29-14)4-28-30(26,27)21-3-1-2-7(21)15(24)25/h5-8,10-11,14,22-23H,1-4H2,(H,24,25)(H,26,27)(H2,16,17,18)/t7-,8+,10+,11+,14+/m0/s1 | Definition date: | 2020-06-19 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | (2S)-1-[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]pyrrolidine-2-carboxylic acid (non-preferred name) |
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![V2S V2S](https://data.pdbj.org/pdbjplus/data/cc/svg/V2S.svg) | V2S | Name: | (2~{S})-2-[[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl]amino]-3-phenyl-propanoic acid | Formula: | C19 H23 N6 O8 P | SMILES: | C(C(NP(=O)(O)OCC3OC(n2c1c(c(N)ncn1)nc2)C(O)C3O)Cc4ccccc4)(O)=O | InChi: | InChI=1S/C19H23N6O8P/c20-16-13-17(22-8-21-16)25(9-23-13)18-15(27)14(26)12(33-18)7-32-34(30,31)24-11(19(28)29)6-10-4-2-1-3-5-10/h1-5,8-9,11-12,14-15,18,26-27H,6-7H2,(H,28,29)(H2,20,21,22)(H2,24,30,31)/t11-,12+,14+,15+,18+/m0/s1 | Definition date: | 2020-06-19 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | (2S)-2-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]amino}-3-phenylpropanoic acid (non-preferred name) |
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![U9Y U9Y](https://data.pdbj.org/pdbjplus/data/cc/svg/U9Y.svg) | U9Y | Name: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine | Formula: | C17 H18 Cl2 N6 | SMILES: | c12nnc(c1ncc(n2)N3CCC(CC3)(C)N)c4cccc(c4Cl)Cl | InChi: | InChI=1S/C17H18Cl2N6/c1-17(20)5-7-25(8-6-17)12-9-21-15-14(23-24-16(15)22-12)10-3-2-4-11(18)13(10)19/h2-4,9H,5-8,20H2,1H3,(H,22,23,24) | Definition date: | 2020-05-05 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 1-[3-(2,3-dichlorophenyl)-1H-pyrazolo[3,4-b]pyrazin-6-yl]-4-methylpiperidin-4-amine |
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![VY7 VY7](https://data.pdbj.org/pdbjplus/data/cc/svg/VY7.svg) | VY7 | Name: | 1-{2-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid | Formula: | C20 H24 N6 O4 | SMILES: | C(Oc1c(cccc1)N2CCC(CC2)C(=O)O)C(N3Cc4c(C3)nc(N)nc4N)=O | InChi: | InChI=1S/C20H24N6O4/c21-18-13-9-26(10-14(13)23-20(22)24-18)17(27)11-30-16-4-2-1-3-15(16)25-7-5-12(6-8-25)19(28)29/h1-4,12H,5-11H2,(H,28,29)(H4,21,22,23,24) | Definition date: | 2020-09-21 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 1-{2-[2-(2,4-diamino-5,7-dihydro-6H-pyrrolo[3,4-d]pyrimidin-6-yl)-2-oxoethoxy]phenyl}piperidine-4-carboxylic acid |
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![VYG VYG](https://data.pdbj.org/pdbjplus/data/cc/svg/VYG.svg) | VYG | Name: | 6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine | Formula: | C20 H27 F3 N6 O2 | SMILES: | C(C)c1c(c(nc(n1)N)N)OCCCOc2c(cccn2)N3CCC(C(F)(F)F)CC3 | InChi: | InChI=1S/C20H27F3N6O2/c1-2-14-16(17(24)28-19(25)27-14)30-11-4-12-31-18-15(5-3-8-26-18)29-9-6-13(7-10-29)20(21,22)23/h3,5,8,13H,2,4,6-7,9-12H2,1H3,(H4,24,25,27,28) | Definition date: | 2020-09-21 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 6-ethyl-5-[3-({3-[4-(trifluoromethyl)piperidin-1-yl]pyridin-2-yl}oxy)propoxy]pyrimidine-2,4-diamine |
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![QO7 QO7](https://data.pdbj.org/pdbjplus/data/cc/svg/QO7.svg) | QO7 | Name: | 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide | Formula: | C17 H15 Br F2 N4 O3 | SMILES: | c1(ccc(cc1F)Br)Nc2c(C(NOCCO)=O)cc3c(c2F)ncn3C | InChi: | InChI=1S/C17H15BrF2N4O3/c1-24-8-21-16-13(24)7-10(17(26)23-27-5-4-25)15(14(16)20)22-12-3-2-9(18)6-11(12)19/h2-3,6-8,22,25H,4-5H2,1H3,(H,23,26) | Definition date: | 2019-12-02 | Last modified: | 2021-03-12 | Release date: | 2020-12-02 | Identifier: | 5-[(4-bromo-2-fluorophenyl)amino]-4-fluoro-N-(2-hydroxyethoxy)-1-methyl-1H-benzimidazole-6-carboxamide |
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![QOA QOA](https://data.pdbj.org/pdbjplus/data/cc/svg/QOA.svg) | QOA | Name: | N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide | Formula: | C15 H15 F I N3 O3 | SMILES: | c2(Nc1ccc(cc1F)I)c(C(=O)NCC(O)CO)ccnc2 | InChi: | InChI=1S/C15H15FIN3O3/c16-12-5-9(17)1-2-13(12)20-14-7-18-4-3-11(14)15(23)19-6-10(22)8-21/h1-5,7,10,20-22H,6,8H2,(H,19,23)/t10-/m0/s1 | Definition date: | 2019-12-02 | Last modified: | 2021-03-12 | Release date: | 2020-12-02 | Identifier: | N-[(2S)-2,3-dihydroxypropyl]-3-[(2-fluoro-4-iodophenyl)amino]pyridine-4-carboxamide |
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![R3B R3B](https://data.pdbj.org/pdbjplus/data/cc/svg/R3B.svg) | R3B | Name: | (2S,9S,12R)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-24,27-dimethoxy-11,18,22-trioxa-4-azatetracyclo[21.2.2.113,17.04,9]octacosa-1(25),13(28),14,16,23,26-hexaene-3,10-dione | Formula: | C42 H53 N O9 | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OCCCOc6cccc2c6)c(OC)c5)cc1OC | InChi: | InChI=1S/C42H53NO9/c1-46-35-20-18-28(24-36(35)47-2)17-19-34-30-14-10-15-32(25-30)50-22-11-23-51-40-37(48-3)26-31(27-38(40)49-4)39(29-12-6-5-7-13-29)41(44)43-21-9-8-16-33(43)42(45)52-34/h10,14-15,18,20,24-27,29,33-34,39H,5-9,11-13,16-17,19,21-23H2,1-4H3/t33-,34+,39-/m0/s1 | Definition date: | 2020-08-27 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 |
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![R3E R3E](https://data.pdbj.org/pdbjplus/data/cc/svg/R3E.svg) | R3E | Name: | (2S,9S,12R,20Z)-2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-28,31-dimethoxy-11,18,23,26-tetraoxa-4-azatetracyclo[25.2.2.113,17.04,9]dotriaconta-1(29),13(32),14,16,20,27,30-heptaene-3,10-dione | Formula: | C45 H57 N O10 | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OCCOCC=CCOc6cccc2c6)c(OC)c5)cc1OC | InChi: | InChI=1S/C45H57NO10/c1-49-38-21-19-31(27-39(38)50-2)18-20-37-33-15-12-16-35(28-33)54-24-11-10-23-53-25-26-55-43-40(51-3)29-34(30-41(43)52-4)42(32-13-6-5-7-14-32)44(47)46-22-9-8-17-36(46)45(48)56-37/h10-12,15-16,19,21,27-30,32,36-37,42H,5-9,13-14,17-18,20,22-26H2,1-4H3/b11-10-/t36-,37+,42-/m0/s1 | Definition date: | 2020-08-27 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 |
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![T58 T58](https://data.pdbj.org/pdbjplus/data/cc/svg/T58.svg) | T58 | Name: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,20,24(28),25-heptaene-3,10-dione | Formula: | C43 H53 N O9 | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OC)c(OCC=CCOc6cccc2c6)c5)cc1OC | InChi: | InChI=1S/C43H53NO9/c1-47-36-21-19-29(25-37(36)48-2)18-20-35-31-15-12-16-33(26-31)51-23-10-11-24-52-39-28-32(27-38(49-3)41(39)50-4)40(30-13-6-5-7-14-30)42(45)44-22-9-8-17-34(44)43(46)53-35/h10-12,15-16,19,21,25-28,30,34-35,40H,5-9,13-14,17-18,20,22-24H2,1-4H3/b11-10+/t34-,35+,40-/m0/s1 | Definition date: | 2020-12-15 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 |
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![T5B T5B](https://data.pdbj.org/pdbjplus/data/cc/svg/T5B.svg) | T5B | Name: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,26-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.3.1.113,17.04,9]nonacosa-1(27),13(29),14,16,24(28),25-hexaene-3,10-dione | Formula: | C43 H55 N O11 | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OC)c(OC[CH](O)[CH](O)COc6cccc2c6)c5)cc1OC | InChi: | InChI=1S/C43H55NO11/c1-49-36-19-17-27(21-37(36)50-2)16-18-35-29-13-10-14-31(22-29)53-25-33(45)34(46)26-54-39-24-30(23-38(51-3)41(39)52-4)40(28-11-6-5-7-12-28)42(47)44-20-9-8-15-32(44)43(48)55-35/h10,13-14,17,19,21-24,28,32-35,40,45-46H,5-9,11-12,15-16,18,20,25-26H2,1-4H3/t32-,33+,34+,35+,40-/m0/s1 | Definition date: | 2020-12-15 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 |
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![UQK UQK](https://data.pdbj.org/pdbjplus/data/cc/svg/UQK.svg) | UQK | Name: | N-oxalyl-alpha-methylalanine | Formula: | C6 H9 N O5 | SMILES: | CC(C)(NC(=O)C(O)=O)C(O)=O | InChi: | InChI=1S/C6H9NO5/c1-6(2,5(11)12)7-3(8)4(9)10/h1-2H3,(H,7,8)(H,9,10)(H,11,12) | Synonyms: | 2-(carboxycarbonylamino)-2-methyl-propanoic acid | Definition date: | 2021-03-09 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 2-(carboxycarbonylamino)-2-methyl-propanoic acid |
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![VLV VLV](https://data.pdbj.org/pdbjplus/data/cc/svg/VLV.svg) | VLV | Name: | N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide | Formula: | C20 H26 N4 O3 S | SMILES: | C(=O)(CCNC(Nc2nc(C)c(c1ccc(cc1)C(C)=O)s2)=O)NC(C)(C)C | InChi: | InChI=1S/C20H26N4O3S/c1-12-17(15-8-6-14(7-9-15)13(2)25)28-19(22-12)23-18(27)21-11-10-16(26)24-20(3,4)5/h6-9H,10-11H2,1-5H3,(H,24,26)(H2,21,22,23,27) | Definition date: | 2020-08-27 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | N~3~-{[5-(4-acetylphenyl)-4-methyl-1,3-thiazol-2-yl]carbamoyl}-N-tert-butyl-beta-alaninamide |
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![TK7 TK7](https://data.pdbj.org/pdbjplus/data/cc/svg/TK7.svg) | TK7 | Name: | diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate | Formula: | C34 H52 N3 O11 P S | SMILES: | C(C(Cc1ccc(cc1)OCP(OCC)(OCC)=O)NC(=O)OC2COC3C2CCO3)(CN(CC(CC)CC)S(c4ccc(cc4)N)(=O)=O)O | InChi: | InChI=1S/C34H52N3O11PS/c1-5-24(6-2)20-37(50(41,42)28-15-11-26(35)12-16-28)21-31(38)30(36-34(39)48-32-22-44-33-29(32)17-18-43-33)19-25-9-13-27(14-10-25)45-23-49(40,46-7-3)47-8-4/h9-16,24,29-33,38H,5-8,17-23,35H2,1-4H3,(H,36,39)/t29-,30-,31+,32-,33+/m0/s1 | Definition date: | 2020-03-23 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | diethyl [(4-{(2S,3R)-4-{[(4-aminophenyl)sulfonyl](2-ethylbutyl)amino}-2-[({[(3R,3aS,6aR)-hexahydrofuro[2,3-b]furan-3-yl]oxy}carbonyl)amino]-3-hydroxybutyl}phenoxy)methyl]phosphonate |
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![T5H T5H](https://data.pdbj.org/pdbjplus/data/cc/svg/T5H.svg) | T5H | Name: | 2-cyclohexyl-12-[2-(3,4-dimethoxyphenyl)ethyl]-20,21-dihydroxy-25,28-dimethoxy-11,18,23-trioxa-4-azatetracyclo[22.2.2.113,17.04,9]nonacosa-1(26),13(29),14,16,24,27-hexaene-3,10-dione | Formula: | C43 H55 N O11 | SMILES: | COc1ccc(CC[CH]2OC(=O)[CH]3CCCCN3C(=O)[CH](C4CCCCC4)c5cc(OC)c(OC[CH](O)[CH](O)COc6cccc2c6)c(OC)c5)cc1OC | InChi: | InChI=1S/C43H55NO11/c1-49-36-19-17-27(21-37(36)50-2)16-18-35-29-13-10-14-31(22-29)53-25-33(45)34(46)26-54-41-38(51-3)23-30(24-39(41)52-4)40(28-11-6-5-7-12-28)42(47)44-20-9-8-15-32(44)43(48)55-35/h10,13-14,17,19,21-24,28,32-35,40,45-46H,5-9,11-12,15-16,18,20,25-26H2,1-4H3/t32-,33+,34-,35+,40-/m0/s1 | Definition date: | 2020-12-15 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 |
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![XHM XHM](https://data.pdbj.org/pdbjplus/data/cc/svg/XHM.svg) | XHM | Name: | 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile | Formula: | C26 H24 F N5 | SMILES: | c1(cc2c(cc1C#N)cnn2c4ccc(N3CCN(C)CC3)cc4)c5c(cccc5C)F | InChi: | InChI=1S/C26H24FN5/c1-18-4-3-5-24(27)26(18)23-15-25-20(14-19(23)16-28)17-29-32(25)22-8-6-21(7-9-22)31-12-10-30(2)11-13-31/h3-9,14-15,17H,10-13H2,1-2H3 | Definition date: | 2020-12-17 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 6-(2-fluoro-6-methylphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-indazole-5-carbonitrile |
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![XHS XHS](https://data.pdbj.org/pdbjplus/data/cc/svg/XHS.svg) | XHS | Name: | 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine | Formula: | C23 H23 F N6 O | SMILES: | CN1CCN(CC1)c2cccc(n2)n3c5c(cn3)cnc(c4c(cccc4OC)F)c5 | InChi: | InChI=1S/C23H23FN6O/c1-28-9-11-29(12-10-28)21-7-4-8-22(27-21)30-19-13-18(25-14-16(19)15-26-30)23-17(24)5-3-6-20(23)31-2/h3-8,13-15H,9-12H2,1-2H3 | Definition date: | 2020-12-17 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 6-(2-fluoro-6-methoxyphenyl)-1-[6-(4-methylpiperazin-1-yl)pyridin-2-yl]-1H-pyrazolo[4,3-c]pyridine |
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![XHV XHV](https://data.pdbj.org/pdbjplus/data/cc/svg/XHV.svg) | XHV | Name: | 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine | Formula: | C24 H24 F N5 O | SMILES: | CN1CCN(CC1)c2ccc(cc2)n3c5c(cn3)cnc(c4c(cccc4F)OC)c5 | InChi: | InChI=1S/C24H24FN5O/c1-28-10-12-29(13-11-28)18-6-8-19(9-7-18)30-22-14-21(26-15-17(22)16-27-30)24-20(25)4-3-5-23(24)31-2/h3-9,14-16H,10-13H2,1-2H3 | Definition date: | 2020-12-17 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 6-(2-fluoro-6-methoxyphenyl)-1-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[4,3-c]pyridine |
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![YHI YHI](https://data.pdbj.org/pdbjplus/data/cc/svg/YHI.svg) | YHI | Name: | benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate | Formula: | C23 H31 N3 O5 | SMILES: | O=C1NCCC1CC(CO)NC(=O)C1C2C(CN1C(=O)OCc1ccccc1)C2(C)C | InChi: | InChI=1S/C23H31N3O5/c1-23(2)17-11-26(22(30)31-13-14-6-4-3-5-7-14)19(18(17)23)21(29)25-16(12-27)10-15-8-9-24-20(15)28/h3-7,15-19,27H,8-13H2,1-2H3,(H,24,28)(H,25,29)/t15-,16-,17-,18-,19-/m0/s1 | Definition date: | 2021-03-08 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | benzyl (1R,2S,5S)-2-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate |
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![YHJ YHJ](https://data.pdbj.org/pdbjplus/data/cc/svg/YHJ.svg) | YHJ | Name: | benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate | Formula: | C23 H31 N3 O5 | SMILES: | O=C1NCCC1CC(CO)NC(=O)C1C2CCCC2CN1C(=O)OCc1ccccc1 | InChi: | InChI=1S/C23H31N3O5/c27-13-18(11-16-9-10-24-21(16)28)25-22(29)20-19-8-4-7-17(19)12-26(20)23(30)31-14-15-5-2-1-3-6-15/h1-3,5-6,16-20,27H,4,7-14H2,(H,24,28)(H,25,29)/t16-,17-,18-,19-,20-/m0/s1 | Definition date: | 2021-03-08 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | benzyl (1S,3aR,6aS)-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}carbamoyl)hexahydrocyclopenta[c]pyrrole-2(1H)-carboxylate |
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![U0Z U0Z](https://data.pdbj.org/pdbjplus/data/cc/svg/U0Z.svg) | U0Z | Name: | 5,6-dihydro-2-imino-2H,4H-thiazolo(5,4,3-IJ)quinoline | Formula: | C10 H10 N2 S | SMILES: | N=C1Sc2cccc3CCCN1c23 | InChi: | InChI=1S/C10H10N2S/c11-10-12-6-2-4-7-3-1-5-8(13-10)9(7)12/h1,3,5,11H,2,4,6H2/b11-10+ | Synonyms: | 3-Thia-1-azatricyclo[6.3.1.04,12]dodeca-4,6,8(12)-trien-2-imine | Definition date: | 2021-01-17 | Last modified: | 2021-03-12 | Release date: | 2021-03-17 | Identifier: | 3-thia-1-azatricyclo[6.3.1.0^{4,12}]dodeca-4(12),5,7-trien-2-imine |
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