![KS6 KS6](https://data.pdbj.org/pdbjplus/data/cc/svg/KS6.svg) | KS6 | Name: | N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide | Formula: | C22 H29 F N4 O2 | SMILES: | Fc1ccc(C)c2[NH]c(cc12)C(=O)NC1CC(CCC1)N1CCN(CC1)C(C)=O | InChi: | InChI=1S/C22H29FN4O2/c1-14-6-7-19(23)18-13-20(25-21(14)18)22(29)24-16-4-3-5-17(12-16)27-10-8-26(9-11-27)15(2)28/h6-7,13,16-17,25H,3-5,8-12H2,1-2H3,(H,24,29)/t16-,17+/m1/s1 | Definition date: | 2022-02-14 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | N-[(1R,3S)-3-(4-acetylpiperazin-1-yl)cyclohexyl]-4-fluoro-7-methyl-1H-indole-2-carboxamide |
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![KY6 KY6](https://data.pdbj.org/pdbjplus/data/cc/svg/KY6.svg) | KY6 | Name: | 4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile | Formula: | C21 H17 N3 O S | SMILES: | OCCN(C)c1ccc2cc(C=C(/C#N)c3ccc(C#N)cc3)sc2c1 | InChi: | InChI=1S/C21H17N3OS/c1-24(8-9-25)19-7-6-17-10-20(26-21(17)12-19)11-18(14-23)16-4-2-15(13-22)3-5-16/h2-7,10-12,25H,8-9H2,1H3/b18-11+ | Definition date: | 2022-02-21 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | 4-[(Z)-1-cyano-2-{6-[(2-hydroxyethyl)(methyl)amino]-1-benzothiophen-2-yl}ethenyl]benzonitrile |
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![KYX KYX](https://data.pdbj.org/pdbjplus/data/cc/svg/KYX.svg) | KYX | Name: | N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide | Formula: | C20 H23 N5 O2 | SMILES: | CC(C)(C)CNC(=O)Nc1ccc(cc1)NC(=O)c1cccc2cn[NH]c12 | InChi: | InChI=1S/C20H23N5O2/c1-20(2,3)12-21-19(27)24-15-9-7-14(8-10-15)23-18(26)16-6-4-5-13-11-22-25-17(13)16/h4-11H,12H2,1-3H3,(H,22,25)(H,23,26)(H2,21,24,27) | Definition date: | 2022-02-24 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | N-{4-[(2,2-dimethylpropyl)carbamamido]phenyl}-1H-indazole-7-carboxamide |
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![1T0 1T0](https://data.pdbj.org/pdbjplus/data/cc/svg/1T0.svg) | 1T0 | Name: | 4-[(3R)-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-N-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide | Formula: | C27 H27 F N6 O2 | SMILES: | Cn1cc(cn1)c2cc(F)cc(CNC(=O)c3cc(cc(C)n3)N4CC[C](C#N)(C4=O)C5(C)CC5)c2 | InChi: | InChI=1S/C27H27FN6O2/c1-17-8-22(34-7-6-27(16-29,25(34)36)26(2)4-5-26)12-23(32-17)24(35)30-13-18-9-19(11-21(28)10-18)20-14-31-33(3)15-20/h8-12,14-15H,4-7,13H2,1-3H3,(H,30,35)/t27-/m1/s1 | Definition date: | 2021-07-08 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | 4-[(3~{R})-3-cyano-3-(1-methylcyclopropyl)-2-oxidanylidene-pyrrolidin-1-yl]-~{N}-[[3-fluoranyl-5-(1-methylpyrazol-4-yl)phenyl]methyl]-6-methyl-pyridine-2-carboxamide |
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![LJX LJX](https://data.pdbj.org/pdbjplus/data/cc/svg/LJX.svg) | LJX | Name: | (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol | Formula: | C19 H21 N5 O3 S | SMILES: | OC1C(O)COC1n1c2nc(C#CCCCC)nc(N)c2nc1c1cccs1 | InChi: | InChI=1S/C19H21N5O3S/c1-2-3-4-5-8-13-21-16(20)14-18(22-13)24(19-15(26)11(25)10-27-19)17(23-14)12-7-6-9-28-12/h6-7,9,11,15,19,25-26H,2-4,10H2,1H3,(H2,20,21,22)/t11-,15-,19-/m1/s1 | Definition date: | 2022-05-17 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | (2R,3R,4R)-2-[(8P)-6-amino-2-(hex-1-yn-1-yl)-8-(thiophen-2-yl)-9H-purin-9-yl]oxolane-3,4-diol |
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![I3J I3J](https://data.pdbj.org/pdbjplus/data/cc/svg/I3J.svg) | I3J | Name: | (2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoic acid | Formula: | C10 H9 N O3 | SMILES: | Oc1ccc(CC([N+]#[C-])C(=O)O)cc1 | InChi: | InChI=1S/C10H9NO3/c1-11-9(10(13)14)6-7-2-4-8(12)5-3-7/h2-5,9,12H,6H2,(H,13,14)/t9-/m0/s1 | Synonyms: | tyrosine isonitrile | Definition date: | 2022-01-07 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | (2S)-3-(4-hydroxyphenyl)-2-isocyanopropanoic acid |
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![IAZ IAZ](https://data.pdbj.org/pdbjplus/data/cc/svg/IAZ.svg) | IAZ | Name: | ~{N}-(furan-2-ylmethyl)-6-phenoxy-1~{H}-benzimidazol-2-amine | Formula: | C18 H15 N3 O2 | SMILES: | C(Nc1[nH]c2cc(Oc3ccccc3)ccc2n1)c4occc4 | InChi: | InChI=1S/C18H15N3O2/c1-2-5-13(6-3-1)23-14-8-9-16-17(11-14)21-18(20-16)19-12-15-7-4-10-22-15/h1-11H,12H2,(H2,19,20,21) | Definition date: | 2022-03-04 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | ~{N}-(furan-2-ylmethyl)-6-phenoxy-1~{H}-benzimidazol-2-amine |
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![IG3 IG3](https://data.pdbj.org/pdbjplus/data/cc/svg/IG3.svg) | IG3 | Name: | ~{N}-[4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide | Formula: | C26 H23 N7 O4 S3 | SMILES: | C[S](=O)(=O)Nc1cccc(c1)c2csc(NC(=O)CSC3=Nc4nccnc4C(=O)N3CCc5ccccc5)n2 | InChi: | InChI=1S/C26H23N7O4S3/c1-40(36,37)32-19-9-5-8-18(14-19)20-15-38-25(29-20)30-21(34)16-39-26-31-23-22(27-11-12-28-23)24(35)33(26)13-10-17-6-3-2-4-7-17/h2-9,11-12,14-15,32H,10,13,16H2,1H3,(H,29,30,34) | Definition date: | 2022-03-18 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | ~{N}-[4-[3-(methylsulfonylamino)phenyl]-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide |
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![EIZ EIZ](https://data.pdbj.org/pdbjplus/data/cc/svg/EIZ.svg) | EIZ | Name: | tert-butyl N-[3-(2-hydroxyethylcarbamoyl)-5-phenyl-thiophen-2-yl]carbamate | Formula: | C18 H22 N2 O4 S | SMILES: | CC(C)(C)OC(=O)Nc1sc(cc1C(=O)NCCO)c2ccccc2 | InChi: | InChI=1S/C18H22N2O4S/c1-18(2,3)24-17(23)20-16-13(15(22)19-9-10-21)11-14(25-16)12-7-5-4-6-8-12/h4-8,11,21H,9-10H2,1-3H3,(H,19,22)(H,20,23) | Synonyms: | (2S)-2-[[(2S)-4-methyl-2-(phenylmethoxycarbonylamino)pentanoyl]amino]-1-oxidanyl-hexane-1-sulfonic acid | Definition date: | 2022-01-10 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | ~{tert}-butyl ~{N}-[3-(2-hydroxyethylcarbamoyl)-5-phenyl-thiophen-2-yl]carbamate |
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![EM0 EM0](https://data.pdbj.org/pdbjplus/data/cc/svg/EM0.svg) | EM0 | Name: | 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide | Formula: | C16 H16 F N3 O3 S | SMILES: | Cc1cc(ccc1F)S(=O)(=O)Nc1ccc2NC(=O)N(C)Cc2c1 | InChi: | InChI=1S/C16H16FN3O3S/c1-10-7-13(4-5-14(10)17)24(22,23)19-12-3-6-15-11(8-12)9-20(2)16(21)18-15/h3-8,19H,9H2,1-2H3,(H,18,21) | Definition date: | 2021-12-08 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | 4-fluoro-3-methyl-N-(3-methyl-2-oxo-1,2,3,4-tetrahydroquinazolin-6-yl)benzene-1-sulfonamide |
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![M1I M1I](https://data.pdbj.org/pdbjplus/data/cc/svg/M1I.svg) | M1I | Name: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one | Formula: | C23 H31 N3 O2 | SMILES: | COc1cc(ccc1C2(CC2)N3CCN(C)CC3)C4=CN(C)C(=O)C(=C4C)C | InChi: | InChI=1S/C23H31N3O2/c1-16-17(2)22(27)25(4)15-19(16)18-6-7-20(21(14-18)28-5)23(8-9-23)26-12-10-24(3)11-13-26/h6-7,14-15H,8-13H2,1-5H3 | Definition date: | 2022-07-20 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | 5-[3-methoxy-4-[1-(4-methylpiperazin-1-yl)cyclopropyl]phenyl]-1,3,4-trimethyl-pyridin-2-one |
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![OWR OWR](https://data.pdbj.org/pdbjplus/data/cc/svg/OWR.svg) | OWR | Name: | 1-[2-deoxy-5-O-(dihydroxyphosphanyl)-beta-D-erythro-pentofuranosyl]-1H-naphtho[2,3-d]imidazole | Formula: | C16 H17 N2 O6 P | SMILES: | O=P(O)(O)OCC1OC(CC1O)n1cnc2cc3ccccc3cc21 | InChi: | InChI=1S/C16H17N2O6P/c19-14-7-16(24-15(14)8-23-25(20,21)22)18-9-17-12-5-10-3-1-2-4-11(10)6-13(12)18/h1-6,9,14-16,19H,7-8H2,(H2,20,21,22)/t14-,15+,16+/m0/s1 | Definition date: | 2022-05-18 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | 1-(2-deoxy-5-O-phosphono-beta-D-erythro-pentofuranosyl)-1H-naphtho[2,3-d]imidazole |
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![7IS 7IS](https://data.pdbj.org/pdbjplus/data/cc/svg/7IS.svg) | 7IS | Name: | N-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzamide | Formula: | C18 H12 Cl F3 N4 O | SMILES: | FC(F)(F)c1cccc(c1)C(=O)Nc2ccc(Nc3ccc(Cl)nn3)cc2 | InChi: | InChI=1S/C18H12ClF3N4O/c19-15-8-9-16(26-25-15)23-13-4-6-14(7-5-13)24-17(27)11-2-1-3-12(10-11)18(20,21)22/h1-10H,(H,23,26)(H,24,27) | Definition date: | 2021-10-06 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | ~{N}-[4-[(6-chloranylpyridazin-3-yl)amino]phenyl]-3-(trifluoromethyl)benzamide |
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![P7U P7U](https://data.pdbj.org/pdbjplus/data/cc/svg/P7U.svg) | P7U | Name: | {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile | Formula: | C35 H37 Cl F N7 O5 | SMILES: | CC(O)C(O)(O)C(=O)N1CCN(CC1CC#N)c1nc(nc2c(F)c(ncc21)c1cccc2cccc(Cl)c21)OCC12CCCN2CCC1 | InChi: | InChI=1S/C35H37ClFN7O5/c1-21(45)35(47,48)32(46)44-17-16-42(19-23(44)10-13-38)31-25-18-39-29(24-8-2-6-22-7-3-9-26(36)27(22)24)28(37)30(25)40-33(41-31)49-20-34-11-4-14-43(34)15-5-12-34/h2-3,6-9,18,21,23,45,47-48H,4-5,10-12,14-17,19-20H2,1H3/t21-,23-/m0/s1 | Definition date: | 2022-05-25 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | {(2S)-4-[(7P)-7-(8-chloronaphthalen-1-yl)-8-fluoro-2-{[(4R,7as)-tetrahydro-1H-pyrrolizin-7a(5H)-yl]methoxy}pyrido[4,3-d]pyrimidin-4-yl]-1-[(3S)-2,2,3-trihydroxybutanoyl]piperazin-2-yl}acetonitrile |
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![80E 80E](https://data.pdbj.org/pdbjplus/data/cc/svg/80E.svg) | 80E | Name: | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid | Formula: | C19 H18 N2 O4 | SMILES: | O=C(OC)c1ccc(NCCc2c[NH]c3ccccc32)c(c1)C(=O)O | InChi: | InChI=1S/C19H18N2O4/c1-25-19(24)12-6-7-17(15(10-12)18(22)23)20-9-8-13-11-21-16-5-3-2-4-14(13)16/h2-7,10-11,20-21H,8-9H2,1H3,(H,22,23) | Definition date: | 2021-08-24 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | 2-{[2-(1H-indol-3-yl)ethyl]amino}-5-(methoxycarbonyl)benzoic acid |
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![NW6 NW6](https://data.pdbj.org/pdbjplus/data/cc/svg/NW6.svg) | NW6 | Name: | nocodazole | Formula: | C14 H11 N3 O3 S | SMILES: | COC(=O)Nc1[nH]c2ccc(cc2n1)C(=O)c3sccc3 | InChi: | InChI=1S/C14H11N3O3S/c1-20-14(19)17-13-15-9-5-4-8(7-10(9)16-13)12(18)11-3-2-6-21-11/h2-7H,1H3,(H2,15,16,17,19) | Definition date: | 2022-08-24 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | methyl ~{N}-(5-thiophen-2-ylcarbonyl-1~{H}-benzimidazol-2-yl)carbamate |
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![O39 O39](https://data.pdbj.org/pdbjplus/data/cc/svg/O39.svg) | O39 | Name: | (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium | Formula: | C50 H40 Ir N6 O S | SMILES: | O=C(NCc1ccc2c3ccccn3[Ir]34(c5ccccc5c5ccc6ccccc6n53)(c3ccccc3c3ccc5ccccc5n34)n2c1)CCSCc1cccnc1 | InChi: | InChI=1S/C20H20N4OS.2C15H10N.Ir/c25-20(8-11-26-15-17-4-3-9-21-12-17)24-14-16-6-7-19(23-13-16)18-5-1-2-10-22-18 | Definition date: | 2022-04-20 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(quinolin-2-yl-kappaN)phenyl-kappaC~1~]iridium |
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![O3L O3L](https://data.pdbj.org/pdbjplus/data/cc/svg/O3L.svg) | O3L | Name: | (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium | Formula: | C42 H36 Ir N6 O S | SMILES: | O=C(NCc1ccc2c3ccccn3[Ir]34(c5ccccc5c5ccccn53)(c3ccccc3c3ccccn34)n2c1)CCSCc1cccnc1 | InChi: | InChI=1S/C20H20N4OS.2C11H8N.Ir/c25-20(8-11-26-15-17-4-3-9-21-12-17)24-14-16-6-7-19(23-13-16)18-5-1-2-10-22-18 | Definition date: | 2022-04-20 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | (N-[([2,2'-bipyridin]-5-yl-kappa~2~N~1~,N~1'~)methyl]-3-{[(pyridin-3-yl)methyl]sulfanyl}propanamide)bis[2-(pyridin-2-yl-kappaN)phenyl-kappaC~1~]iridium |
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![IKC IKC](https://data.pdbj.org/pdbjplus/data/cc/svg/IKC.svg) | IKC | Name: | ~{N}-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide | Formula: | C25 H20 N6 O3 S2 | SMILES: | Oc1cccc(c1)c2csc(NC(=O)CSC3=Nc4nccnc4C(=O)N3CCc5ccccc5)n2 | InChi: | InChI=1S/C25H20N6O3S2/c32-18-8-4-7-17(13-18)19-14-35-24(28-19)29-20(33)15-36-25-30-22-21(26-10-11-27-22)23(34)31(25)12-9-16-5-2-1-3-6-16/h1-8,10-11,13-14,32H,9,12,15H2,(H,28,29,33) | Definition date: | 2022-03-28 | Last modified: | 2022-08-26 | Release date: | 2022-08-31 | Identifier: | ~{N}-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-2-[4-oxidanylidene-3-(2-phenylethyl)pteridin-2-yl]sulfanyl-ethanamide |
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![7TE 7TE](https://data.pdbj.org/pdbjplus/data/cc/svg/7TE.svg) | 7TE | Name: | (S)-({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphinic acid | Formula: | C10 H14 N5 O6 P | SMILES: | O=P(O)(O)COC1COC(n2cnc3c(N)ncnc32)C1O | InChi: | InChI=1S/C10H14N5O6P/c11-8-6-9(13-2-12-8)15(3-14-6)10-7(16)5(1-20-10)21-4-22(17,18)19/h2-3,5,7,10,16H,1,4H2,(H2,11,12,13)(H2,17,18,19)/t5-,7+,10+/m0/s1 | Definition date: | 2021-08-19 | Last modified: | 2022-08-24 | Release date: | 2022-08-24 | Identifier: | ({[(3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-4-hydroxyoxolan-3-yl]oxy}methyl)phosphonic acid |
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![G41 G41](https://data.pdbj.org/pdbjplus/data/cc/svg/G41.svg) | G41 | Name: | (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide | Formula: | C27 H28 N6 O | SMILES: | C[CH](NC(=O)[CH]1CCCCN1)c2ccc(Nc3ncc4cc(ccc4n3)c5ccncc5)cc2 | InChi: | InChI=1S/C27H28N6O/c1-18(31-26(34)25-4-2-3-13-29-25)19-5-8-23(9-6-19)32-27-30-17-22-16-21(7-10-24(22)33-27)20-11-14-28-15-12-20/h5-12,14-18,25,29H,2-4,13H2,1H3,(H,31,34)(H,30,32,33)/t18-,25-/m0/s1 | Definition date: | 2022-01-27 | Last modified: | 2022-08-22 | Release date: | 2022-05-04 | Identifier: | (2~{S})-~{N}-[(1~{S})-1-[4-[(6-pyridin-4-ylquinazolin-2-yl)amino]phenyl]ethyl]piperidine-2-carboxamide |
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![T56 T56](https://data.pdbj.org/pdbjplus/data/cc/svg/T56.svg) | T56 | Name: | (E)-3-dibenzofuran-4-yl-N-oxidanyl-prop-2-enamide | Formula: | C15 H11 N O3 | SMILES: | ONC(=O)C=Cc1cccc2c1oc3ccccc23 | InChi: | InChI=1S/C15H11NO3/c17-14(16-18)9-8-10-4-3-6-12-11-5-1-2-7-13(11)19-15(10)12/h1-9,18H,(H,16,17)/b9-8+ | Definition date: | 2021-10-26 | Last modified: | 2022-08-22 | Release date: | 2021-12-15 | Identifier: | (~{E})-3-dibenzofuran-4-yl-~{N}-oxidanyl-prop-2-enamide |
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![IZL IZL](https://data.pdbj.org/pdbjplus/data/cc/svg/IZL.svg) | IZL | Name: | [(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate | Formula: | C74 H133 O39 P | SMILES: | CCCCCCCCCCC(=O)OC[CH]1O[CH](O[CH]2[CH](O)[CH](O)[CH](O)[CH](O[CH]3O[CH](CO[CH]4O[CH](CO[CH]5O[CH](CO)[CH](O)[CH](O)[CH]5O[CH]6O[CH](CO)[CH](O)[CH](O)[CH]6O)[CH](O)[CH](O)[CH]4O)[CH](O)[CH](O)[CH]3O)[CH]2O[P](O)(=O)OC[CH](COC(=O)CCCCCCCC[CH](C)CC)OC(=O)CCCCCCCCCC)[CH](O)[CH](O)[CH]1O | InChi: | InChI=1S/C74H133O39P/c1-5-8-10-12-14-16-21-26-30-47(78)100-36-43-51(82)56(87)64(95)72(108-43)110-66-60(91)58(89)61(92)67(69(66)113-114(97,98)103-35-40(104-48(79)31-27-23-17-15-13-11-9-6-2)34-99-46(77)29-25-22-19-18-20-24-28-39(4)7-3)111-73-65(96)57(88)53(84)45(109-73)37-101-70-62(93)55(86)52(83)44(107-70)38-102-74-68(59(90)50(81)42(33-76)106-74)112-71-63(94)54(85)49(80)41(32-75)105-71/h39-45,49-76,80-96H,5-38H2,1-4H3,(H,97,98)/t39-,40-,41-,42-,43-,44-,45-,49-,50-,51-,52-,53-,54+,55+,56+,57+,58-,59+,60-,61+,62+,63+,64+,65+,66-,67-,68+,69-,70+,71-,72-,73-,74+/m1/s1 | Definition date: | 2022-04-22 | Last modified: | 2022-08-22 | Release date: | 2022-05-18 | Identifier: | [(2~{R})-3-[[(1~{S},2~{R},3~{S},4~{S},5~{R},6~{R})-2-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-[[(2~{S},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3-[(2~{R},3~{S},4~{S},5~{S},6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-4,5-bis(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxymethyl]-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-3,4,5-tris(oxidanyl)-6-[(2~{R},3~{S},4~{S},5~{S},6~{R})-3,4,5-tris(oxidanyl)-6-(undecanoyloxymethyl)oxan-2-yl]oxy-cyclohexyl]oxy-oxidanyl-phosphoryl]oxy-2-undecanoyloxy-propyl] (10~{R})-10-methyldodecanoate |
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![J70 J70](https://data.pdbj.org/pdbjplus/data/cc/svg/J70.svg) | J70 | Name: | Pt(diethylenetriamine)(2-(pyridin-4-ylmethyl)benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetraone) | Formula: | C24 H24 N6 O4 Pt | SMILES: | [Pt].NCCNCCN.O=C1NC(=O)c2ccc3C(=O)N(Cc4ccncc4)C(=O)c5ccc1c2c35 | InChi: | InChI=1S/C20H11N3O4.C4H13N3.Pt/c24-17-11-1-3-13-16-14(4-2-12(15(11)16)18(25)22-17)20(27)23(19(13)26)9-10-5-7-21-8-6-10 | Definition date: | 2021-04-19 | Last modified: | 2022-08-22 | Release date: | 2021-12-15 |
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![9P0 9P0](https://data.pdbj.org/pdbjplus/data/cc/svg/9P0.svg) | 9P0 | Name: | 4-[(5S,8R)-5-(dimethylcarbamoyl)-8-[[(2S)-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid | Formula: | C30 H34 N4 O8 S | SMILES: | CN(C)C(=O)[CH]1CSCc2c(cccc2c3ccc(cc3)C(O)=O)C(=O)OC[CH](NC(=O)[CH]4CCCN4C(C)=O)C(=O)N1 | InChi: | InChI=1S/C30H34N4O8S/c1-17(35)34-13-5-8-25(34)27(37)31-23-14-42-30(41)21-7-4-6-20(18-9-11-19(12-10-18)29(39)40)22(21)15-43-16-24(32-26(23)36)28(38)33(2)3/h4,6-7,9-12,23-25H,5,8,13-16H2,1-3H3,(H,31,37)(H,32,36)(H,39,40)/t23-,24-,25+/m1/s1 | Definition date: | 2021-11-19 | Last modified: | 2022-08-22 | Release date: | 2022-03-16 | Identifier: | 4-[(5~{S},8~{R})-5-(dimethylcarbamoyl)-8-[[(2~{S})-1-ethanoylpyrrolidin-2-yl]carbonylamino]-7,11-bis(oxidanylidene)-10-oxa-3-thia-6-azabicyclo[10.4.0]hexadeca-1(16),12,14-trien-16-yl]benzoic acid |
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