![9BC 9BC](https://data.pdbj.org/pdbjplus/data/cc/svg/9BC.svg) | 9BC | Name: | 1-(2-{[(diphenylmethylidene)amino]oxy}ethyl)-1,2,5,6-tetrahydropyridine-3-carboxylic acid | Formula: | C21 H22 N2 O3 | SMILES: | OC(=O)C1=CCCN(CCON=C(c2ccccc2)c3ccccc3)C1 | InChi: | InChI=1S/C21H22N2O3/c24-21(25)19-12-7-13-23(16-19)14-15-26-22-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-12H,7,13-16H2,(H,24,25) | Synonyms: | NO-711 | Definition date: | 2022-01-13 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | 1-[2-[(diphenylmethylidene)amino]oxyethyl]-3,6-dihydro-2~{H}-pyridine-5-carboxylic acid |
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![JUX JUX](https://data.pdbj.org/pdbjplus/data/cc/svg/JUX.svg) | JUX | Name: | N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide | Formula: | C19 H18 N4 O S2 | SMILES: | O=C(CSc1ccc(nn1)c1ccccc1)N(C1CC1)c1nc(C)cs1 | InChi: | InChI=1S/C19H18N4OS2/c1-13-11-26-19(20-13)23(15-7-8-15)18(24)12-25-17-10-9-16(21-22-17)14-5-3-2-4-6-14/h2-6,9-11,15H,7-8,12H2,1H3 | Definition date: | 2022-02-02 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | N-cyclopropyl-N-(4-methyl-1,3-thiazol-2-yl)-2-[(6-phenylpyridazin-3-yl)sulfanyl]acetamide |
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![1WR 1WR](https://data.pdbj.org/pdbjplus/data/cc/svg/1WR.svg) | 1WR | Name: | (3S)-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid | Formula: | C22 H25 N O2 | SMILES: | OC(=O)[CH]1CCCN(CCC=C(c2ccccc2)c3ccccc3)C1 | InChi: | InChI=1S/C22H25NO2/c24-22(25)20-13-7-15-23(17-20)16-8-14-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,14,20H,7-8,13,15-17H2,(H,24,25)/t20-/m0/s1 | Synonyms: | SKF89976A | Definition date: | 2022-01-24 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | (3~{S})-1-(4,4-diphenylbut-3-enyl)piperidine-3-carboxylic acid |
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![H0F H0F](https://data.pdbj.org/pdbjplus/data/cc/svg/H0F.svg) | H0F | Name: | 2-[(2~{S})-1-[(2~{S},3~{S})-3-methyl-2-(methylamino)pentanoyl]pyrrolidin-2-yl]ethanamide | Formula: | C13 H25 N3 O2 | SMILES: | CC[CH](C)[CH](NC)C(=O)N1CCC[CH]1CC(N)=O | InChi: | InChI=1S/C13H25N3O2/c1-4-9(2)12(15-3)13(18)16-7-5-6-10(16)8-11(14)17/h9-10,12,15H,4-8H2,1-3H3,(H2,14,17)/t9-,10-,12-/m0/s1 | Definition date: | 2022-05-18 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | 2-[(2~{S})-1-[(2~{S},3~{S})-3-methyl-2-(methylamino)pentanoyl]pyrrolidin-2-yl]ethanamide |
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![H7I H7I](https://data.pdbj.org/pdbjplus/data/cc/svg/H7I.svg) | H7I | Name: | (4~{S})-5-[(2~{S})-2-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-1-yl]-4-(methylamino)-5-oxidanylidene-pentanoic acid | Formula: | C12 H21 N3 O4 | SMILES: | CN[CH](CCC(O)=O)C(=O)N1CCC[CH]1CC(N)=O | InChi: | InChI=1S/C12H21N3O4/c1-14-9(4-5-11(17)18)12(19)15-6-2-3-8(15)7-10(13)16/h8-9,14H,2-7H2,1H3,(H2,13,16)(H,17,18)/t8-,9-/m0/s1 | Definition date: | 2022-05-20 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | (4~{S})-5-[(2~{S})-2-(2-azanyl-2-oxidanylidene-ethyl)pyrrolidin-1-yl]-4-(methylamino)-5-oxidanylidene-pentanoic acid |
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![4RI 4RI](https://data.pdbj.org/pdbjplus/data/cc/svg/4RI.svg) | 4RI | Name: | 6-hexyl-5-phenyl-pyrimidine-2,4-diamine | Formula: | C16 H22 N4 | SMILES: | CCCCCCc1nc(N)nc(N)c1c2ccccc2 | InChi: | InChI=1S/C16H22N4/c1-2-3-4-8-11-13-14(12-9-6-5-7-10-12)15(17)20-16(18)19-13/h5-7,9-10H,2-4,8,11H2,1H3,(H4,17,18,19,20) | Definition date: | 2021-08-05 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | 6-hexyl-5-phenyl-pyrimidine-2,4-diamine |
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![4TS 4TS](https://data.pdbj.org/pdbjplus/data/cc/svg/4TS.svg) | 4TS | Name: | 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine | Formula: | C21 H23 Cl N4 O2 | SMILES: | Nc1nc(N)c(c(CCOCCCOc2ccccc2)n1)c3cccc(Cl)c3 | InChi: | InChI=1S/C21H23ClN4O2/c22-16-7-4-6-15(14-16)19-18(25-21(24)26-20(19)23)10-13-27-11-5-12-28-17-8-2-1-3-9-17/h1-4,6-9,14H,5,10-13H2,(H4,23,24,25,26) | Definition date: | 2021-08-05 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | 5-(3-chlorophenyl)-6-[2-(3-phenoxypropoxy)ethyl]pyrimidine-2,4-diamine |
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![2IU 2IU](https://data.pdbj.org/pdbjplus/data/cc/svg/2IU.svg) | 2IU | Name: | [[(2R,3S,5R)-5-[5-(1-benzofuran-2-yl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate | Formula: | C17 H19 N2 O15 P3 | SMILES: | O[CH]1C[CH](O[CH]1CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)N2C=C(C(=O)NC2=O)c3oc4ccccc4c3 | InChi: | InChI=1S/C17H19N2O15P3/c20-11-6-15(32-14(11)8-30-36(26,27)34-37(28,29)33-35(23,24)25)19-7-10(16(21)18-17(19)22)13-5-9-3-1-2-4-12(9)31-13/h1-5,7,11,14-15,20H,6,8H2,(H,26,27)(H,28,29)(H,18,21,22)(H2,23,24,25)/t11-,14+,15+/m0/s1 | Synonyms: | BFdUTP | Definition date: | 2021-06-21 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | [[(2~{R},3~{S},5~{R})-5-[5-(1-benzofuran-2-yl)-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] phosphono hydrogen phosphate |
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![08N 08N](https://data.pdbj.org/pdbjplus/data/cc/svg/08N.svg) | 08N | Name: | noscapine | Formula: | C22 H23 N O7 | SMILES: | COc1c2OCOc2cc2CCN(C)C(C3OC(=O)c4c(OC)c(ccc43)OC)c12 | InChi: | InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1 | Synonyms: | (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one | Definition date: | 2021-06-07 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one |
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![08V 08V](https://data.pdbj.org/pdbjplus/data/cc/svg/08V.svg) | 08V | Name: | glaucine | Formula: | C21 H25 N O4 | SMILES: | COc1cc2c(CC3c4c(CCN3C)cc(OC)c(OC)c24)cc1OC | InChi: | InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1 | Synonyms: | (6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline | Definition date: | 2021-06-07 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | (6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
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![P4V P4V](https://data.pdbj.org/pdbjplus/data/cc/svg/P4V.svg) | P4V | Name: | rotundine | Formula: | C21 H25 N O4 | SMILES: | COc1c2CN3CCc4cc(OC)c(OC)cc4C3Cc2ccc1OC | InChi: | InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1 | Definition date: | 2022-05-24 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | (7R,13aR)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline |
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![25J 25J](https://data.pdbj.org/pdbjplus/data/cc/svg/25J.svg) | 25J | Name: | 4-(6-amino-5-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]ethoxy}pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one | Formula: | C23 H19 F N6 O2 | SMILES: | O=C1NCc2c1cccc2c1cc(OC(C)c2cc(F)ccc2n2nccn2)c(N)nc1 | InChi: | InChI=1S/C23H19FN6O2/c1-13(18-10-15(24)5-6-20(18)30-28-7-8-29-30)32-21-9-14(11-26-22(21)25)16-3-2-4-17-19(16)12-27-23(17)31/h2-11,13H,12H2,1H3,(H2,25,26)(H,27,31)/t13-/m1/s1 | Definition date: | 2021-06-25 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | 4-(6-amino-5-{(1R)-1-[5-fluoro-2-(2H-1,2,3-triazol-2-yl)phenyl]ethoxy}pyridin-3-yl)-2,3-dihydro-1H-isoindol-1-one |
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![BYI BYI](https://data.pdbj.org/pdbjplus/data/cc/svg/BYI.svg) | BYI | Name: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid | Formula: | C54 H52 N4 O16 S2 | SMILES: | COc1cc(ccc1OC(=O)c2sccc2)[CH]3[C](NC(=O)c4ccc(NC(=O)OC(C)(C)C)cc4)([CH](c5ccc(OC(=O)c6sccc6)c(OC)c5)[C]3(NC(=O)c7ccc(NC(=O)OC(C)(C)C)cc7)C(O)=O)C(O)=O | InChi: | InChI=1S/C54H52N4O16S2/c1-51(2,3)73-49(67)55-33-19-13-29(14-20-33)43(59)57-53(47(63)64)41(31-17-23-35(37(27-31)69-7)71-45(61)39-11-9-25-75-39)54(48(65)66,58-44(60)30-15-21-34(22-16-30)56-50(68)74-52(4,5)6)42(53)32-18-24-36(38(28-32)70-8)72-46(62)40-12-10-26-76-40/h9-28,41-42H,1-8H3,(H,55,67)(H,56,68)(H,57,59)(H,58,60)(H,63,64)(H,65,66)/t41-,42+,53+,54- | Definition date: | 2022-04-01 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | 2,4-bis(3-methoxy-4-thiophen-2-ylcarbonyloxy-phenyl)-1,3-bis[[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbonylamino]cyclobutane-1,3-dicarboxylic acid |
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![R1L R1L](https://data.pdbj.org/pdbjplus/data/cc/svg/R1L.svg) | R1L | Name: | (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile | Formula: | C36 H40 F N9 O3 | SMILES: | c2(cc(Oc1ccccc1)ccc2c3c7c(n(n3)C4CCCN(C4)C(C(C#N)=[C@H]C(C)(C)N5CCN(CC5)C6COC6)=O)ncnc7N)F | InChi: | InChI=1S/C36H40FN9O3/c1-36(2,45-15-13-43(14-16-45)26-21-48-22-26)18-24(19-38)35(47)44-12-6-7-25(20-44)46-34-31(33(39)40-23-41-34)32(42-46)29-11-10-28(17-30(29)37)49-27-8-4-3-5-9-27/h3-5,8-11,17-18,23,25-26H,6-7,12-16,20-22H2,1-2H3,(H2,39,40,41)/b24-18+/t25-/m1/s1 | Synonyms: | Rilzabrutinib | Definition date: | 2020-12-23 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | (2E)-2-{(3R)-3-[4-amino-3-(2-fluoro-4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-1-yl]piperidine-1-carbonyl}-4-methyl-4-[4-(oxetan-3-yl)piperazin-1-yl]pent-2-enenitrile |
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![IUS IUS](https://data.pdbj.org/pdbjplus/data/cc/svg/IUS.svg) | IUS | Name: | (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide | Formula: | C35 H41 F4 N3 O4 | SMILES: | CC(C)(O)c1ccc(cc1)c1cc(ccc1)N(CC12CCC(CC1)(CC2)c1nc(on1)C(C)(C)F)C(=O)C1CC(O)(C1)C(F)(F)F | InChi: | InChI=1S/C35H41F4N3O4/c1-30(2,36)29-40-28(41-46-29)33-15-12-32(13-16-33,14-17-33)21-42(27(43)24-19-34(45,20-24)35(37,38)39)26-7-5-6-23(18-26)22-8-10-25(11-9-22)31(3,4)44/h5-11,18,24,44-45H,12-17,19-21H2,1-4H3/t24-,32-,33+,34+ | Definition date: | 2022-01-31 | Last modified: | 2022-06-24 | Release date: | 2022-06-29 | Identifier: | (1s,3s)-N-({4-[5-(2-fluoropropan-2-yl)-1,2,4-oxadiazol-3-yl]bicyclo[2.2.2]octan-1-yl}methyl)-3-hydroxy-N-[4'-(2-hydroxypropan-2-yl)[1,1'-biphenyl]-3-yl]-3-(trifluoromethyl)cyclobutane-1-carboxamide |
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![QQA QQA](https://data.pdbj.org/pdbjplus/data/cc/svg/QQA.svg) | QQA | Name: | 1-(6-((2-((6-amino-5-nitropyridin-2-yl)amino)ethyl)amino)-2-(2,4-dichlorophenyl)pyridin-3-yl)-4-methylpiperazin-2-one | Formula: | C23 H24 Cl2 N8 O3 | SMILES: | CN1CC(=O)N(CC1)c1ccc(NCCNc2ccc([N+]([O-])=O)c(N)n2)nc1c1ccc(Cl)cc1Cl | InChi: | InChI=1S/C23H24Cl2N8O3/c1-31-10-11-32(21(34)13-31)17-4-6-19(29-22(17)15-3-2-14(24)12-16(15)25)27-8-9-28-20-7-5-18(33(35)36)23(26)30-20/h2-7,12H,8-11,13H2,1H3,(H,27,29)(H3,26,28,30) | Definition date: | 2019-12-07 | Last modified: | 2022-06-22 | Release date: | 2020-01-15 | Identifier: | 1-[(2P)-6-({2-[(6-amino-5-nitropyridin-2-yl)amino]ethyl}amino)-2-(2,4-dichlorophenyl)pyridin-3-yl]-4-methylpiperazin-2-one |
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![DG9 DG9](https://data.pdbj.org/pdbjplus/data/cc/svg/DG9.svg) | DG9 | Name: | 5'-({[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-{[oxido(oxo)phosphonio]oxy}butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentyl]sulfonyl}amino)-5'-deoxyadenosine | Formula: | C27 H48 N9 O12 P S2 | SMILES: | O=P(O)(O)OCC(C)(C)C(O)C(=O)NCCC(=O)NCCSC(CS(=O)(=O)NCC1OC(n2cnc3c(N)ncnc32)C(O)C1O)C(N)C(C)C | InChi: | InChI=1S/C27H48N9O12PS2/c1-14(2)18(28)16(50-8-7-30-17(37)5-6-31-25(41)22(40)27(3,4)11-47-49(42,43)44)10-51(45,46)35-9-15-20(38)21(39)26(48-15)36-13-34-19-23(29)32-12-33-24(19)36/h12-16,18,20-22,26,35,38-40H,5-11,28H2,1-4H3,(H,30,37)(H,31,41)(H2,29,32,33)(H2,42,43,44)/t15-,16+,18-,20-,21-,22+,26-/m1/s1 | Definition date: | 2012-01-30 | Last modified: | 2022-06-22 | Identifier: | 5'-{[(2R,3R)-3-amino-2-{[2-({N-[(2R)-2-hydroxy-3,3-dimethyl-4-(phosphonooxy)butanoyl]-beta-alanyl}amino)ethyl]sulfanyl}-4-methylpentane-1-sulfonyl]amino}-5'-deoxyadenosine |
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![USK USK](https://data.pdbj.org/pdbjplus/data/cc/svg/USK.svg) | USK | Name: | (3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide | Formula: | C23 H23 N5 O5 S2 | SMILES: | ONC(=O)C[CH](Cc1ccc(O)cc1)n2nncc2CN[S](=O)(=O)c3sc(cc3)c4ccccc4 | InChi: | InChI=1S/C23H23N5O5S2/c29-20-8-6-16(7-9-20)12-18(13-22(30)26-31)28-19(14-24-27-28)15-25-35(32,33)23-11-10-21(34-23)17-4-2-1-3-5-17/h1-11,14,18,25,29,31H,12-13,15H2,(H,26,30)/t18-/m0/s1 | Definition date: | 2021-03-12 | Last modified: | 2022-06-17 | Release date: | 2022-06-22 | Identifier: | (3~{S})-4-(4-hydroxyphenyl)-~{N}-oxidanyl-3-[5-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]butanamide |
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![UQE UQE](https://data.pdbj.org/pdbjplus/data/cc/svg/UQE.svg) | UQE | Name: | (2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide | Formula: | C21 H20 N6 O5 S2 | SMILES: | ONC(=O)[CH](Cc1ccc(O)cc1)n2cc(CN[S](=O)(=O)c3sc(cc3)c4ccccn4)nn2 | InChi: | InChI=1S/C21H20N6O5S2/c28-16-6-4-14(5-7-16)11-18(21(29)25-30)27-13-15(24-26-27)12-23-34(31,32)20-9-8-19(33-20)17-3-1-2-10-22-17/h1-10,13,18,23,28,30H,11-12H2,(H,25,29)/t18-/m0/s1 | Definition date: | 2021-03-08 | Last modified: | 2022-06-17 | Release date: | 2022-06-22 | Identifier: | (2~{S})-3-(4-hydroxyphenyl)-~{N}-oxidanyl-2-[4-[[(5-pyridin-2-ylthiophen-2-yl)sulfonylamino]methyl]-1,2,3-triazol-1-yl]propanamide |
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![G7F G7F](https://data.pdbj.org/pdbjplus/data/cc/svg/G7F.svg) | G7F | Name: | N-methyl-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide | Formula: | C12 H16 N2 O S | SMILES: | CN(Cc1sc2CCCCc2n1)C(=O)C=C | InChi: | InChI=1S/C12H16N2OS/c1-3-12(15)14(2)8-11-13-9-6-4-5-7-10(9)16-11/h3H,1,4-8H2,2H3 | Definition date: | 2020-08-04 | Last modified: | 2022-06-17 | Release date: | 2022-06-22 | Identifier: | ~{N}-methyl-~{N}-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-ylmethyl)prop-2-enamide |
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![G7L G7L](https://data.pdbj.org/pdbjplus/data/cc/svg/G7L.svg) | G7L | Name: | N-methyl-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide | Formula: | C9 H9 F3 N2 O S | SMILES: | CN(Cc1scc(n1)C(F)(F)F)C(=O)C=C | InChi: | InChI=1S/C9H9F3N2OS/c1-3-8(15)14(2)4-7-13-6(5-16-7)9(10,11)12/h3,5H,1,4H2,2H3 | Definition date: | 2020-08-04 | Last modified: | 2022-06-17 | Release date: | 2022-06-22 | Identifier: | ~{N}-methyl-~{N}-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]prop-2-enamide |
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![G7O G7O](https://data.pdbj.org/pdbjplus/data/cc/svg/G7O.svg) | G7O | Name: | N-(1,3-benzothiazol-2-ylmethyl)-N-cyclopropyl-prop-2-enamide | Formula: | C14 H14 N2 O S | SMILES: | C=CC(=O)N(Cc1sc2ccccc2n1)C3CC3 | InChi: | InChI=1S/C14H14N2OS/c1-2-14(17)16(10-7-8-10)9-13-15-11-5-3-4-6-12(11)18-13/h2-6,10H,1,7-9H2 | Definition date: | 2020-08-04 | Last modified: | 2022-06-17 | Release date: | 2022-06-22 | Identifier: | ~{N}-(1,3-benzothiazol-2-ylmethyl)-~{N}-cyclopropyl-prop-2-enamide |
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![GAY GAY](https://data.pdbj.org/pdbjplus/data/cc/svg/GAY.svg) | GAY | Name: | 3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide | Formula: | C22 H19 F N4 O3 | SMILES: | COc1ccn2c(cc(C(=O)Nc3cccc(c3F)c4cnn(C)c4)c2c1)C(C)=O | InChi: | InChI=1S/C22H19FN4O3/c1-13(28)19-10-17(20-9-15(30-3)7-8-27(19)20)22(29)25-18-6-4-5-16(21(18)23)14-11-24-26(2)12-14/h4-12H,1-3H3,(H,25,29) | Definition date: | 2022-05-06 | Last modified: | 2022-06-17 | Release date: | 2022-06-22 | Identifier: | 3-ethanoyl-~{N}-[2-fluoranyl-3-(1-methylpyrazol-4-yl)phenyl]-7-methoxy-indolizine-1-carboxamide |
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![GJ0 GJ0](https://data.pdbj.org/pdbjplus/data/cc/svg/GJ0.svg) | GJ0 | Name: | (2S)-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid | Formula: | C16 H13 Br F2 N2 O4 | SMILES: | N[CH](CC(=O)Nc1ccc(Oc2cc(F)c(F)cc2Br)cc1)C(O)=O | InChi: | InChI=1S/C16H13BrF2N2O4/c17-10-5-11(18)12(19)6-14(10)25-9-3-1-8(2-4-9)21-15(22)7-13(20)16(23)24/h1-6,13H,7,20H2,(H,21,22)(H,23,24)/t13-/m0/s1 | Synonyms: | WAY-213613 | Definition date: | 2022-05-13 | Last modified: | 2022-06-17 | Release date: | 2022-06-22 | Identifier: | (2~{S})-2-azanyl-4-[[4-[2-bromanyl-4,5-bis(fluoranyl)phenoxy]phenyl]amino]-4-oxidanylidene-butanoic acid |
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![1K1 1K1](https://data.pdbj.org/pdbjplus/data/cc/svg/1K1.svg) | 1K1 | Name: | [(2R)-1-[[(2R)-3-[(2S)-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (E)-octadec-9-enoate | Formula: | C46 H89 N2 O11 P | SMILES: | CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)COC(=O)[CH](N)CCCCN)OC(=O)CCCCCCCC=CCCCCCCCC | InChi: | InChI=1S/C46H89N2O11P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-35-45(51)59-42(39-55-44(50)34-29-27-25-23-21-19-16-14-12-10-8-6-4-2)40-58-60(53,54)57-38-41(49)37-56-46(52)43(48)33-31-32-36-47/h17-18,41-43,49H,3-16,19-40,47-48H2,1-2H3,(H,53,54)/b18-17+/t41-,42-,43+/m1/s1 | Definition date: | 2021-06-29 | Last modified: | 2022-06-17 | Release date: | 2022-06-22 | Identifier: | [(2~{R})-1-[[(2~{R})-3-[(2~{S})-2,6-bis(azanyl)hexanoyl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{E})-octadec-9-enoate |
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