![WOM WOM](https://data.pdbj.org/pdbjplus/data/cc/svg/WOM.svg) | WOM | Name: | Picloram | Formula: | C6 H3 Cl3 N2 O2 | SMILES: | c1(N)c(Cl)c(C(O)=O)nc(c1Cl)Cl | InChi: | InChI=1S/C6H3Cl3N2O2/c7-1-3(10)2(8)5(9)11-4(1)6(12)13/h(H2,10,11)(H,12,13) | Synonyms: | 4-amino-3,5,6-trichloropyridine-2-carboxylic acid | Definition date: | 2020-11-01 | Last modified: | 2021-11-26 | Release date: | 2021-12-01 | Identifier: | 4-amino-3,5,6-trichloropyridine-2-carboxylic acid |
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![X8Y X8Y](https://data.pdbj.org/pdbjplus/data/cc/svg/X8Y.svg) | X8Y | Name: | (1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol | Formula: | C19 H30 N6 O7 | SMILES: | N(C1CC(C(C(C1O)O)O)(CO)O)CCCCCCNc2c([N+](=O)[O-])cc(cc2)N=[N+]=[N-] | InChi: | InChI=1S/C19H30N6O7/c20-24-23-12-5-6-13(15(9-12)25(31)32)21-7-3-1-2-4-8-22-14-10-19(30,11-26)18(29)17(28)16(14)27/h5-6,9,14,16-18,21-22,26-30H,1-4,7-8,10-11H2/t14-,16-,17+,18-,19-/m0/s1 | Definition date: | 2020-12-06 | Last modified: | 2021-11-26 | Release date: | 2021-12-01 | Identifier: | (1S,2S,3R,4S,5S)-5-({6-[(4-azido-2-nitrophenyl)amino]hexyl}amino)-1-(hydroxymethyl)cyclohexane-1,2,3,4-tetrol |
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![XV7 XV7](https://data.pdbj.org/pdbjplus/data/cc/svg/XV7.svg) | XV7 | Name: | 9H-fluorene-2,7-disulfonate | Formula: | C13 H10 O6 S2 | SMILES: | c12c(ccc(S(O)(=O)=O)c1)c3ccc(cc3C2)S(O)(=O)=O | InChi: | InChI=1S/C13H10O6S2/c14-20(15,16)10-1-3-12-8(6-10)5-9-7-11(21(17,18)19)2-4-13(9)12/h1-4,6-7H,5H2,(H,14,15,16)(H,17,18,19) | Definition date: | 2021-01-15 | Last modified: | 2021-11-26 | Release date: | 2021-12-01 | Identifier: | 9H-fluorene-2,7-disulfonic acid |
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![Z6V Z6V](https://data.pdbj.org/pdbjplus/data/cc/svg/Z6V.svg) | Z6V | Name: | Vimseltinib | Formula: | C23 H25 N7 O2 | SMILES: | Cn1cc(cn1)c1nccc(Oc2ccc(nc2C)C2=CN=C(NC(C)C)N(C)C2=O)c1 | InChi: | InChI=1S/C23H25N7O2/c1-14(2)27-23-25-12-18(22(31)30(23)5)19-6-7-21(15(3)28-19)32-17-8-9-24-20(10-17)16-11-26-29(4)13-16/h6-14H,1-5H3,(H,25,27) | Synonyms: | 3-methyl-5-(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)-2-[(propan-2-yl)amino]pyrimidin-4(3H)-one | Definition date: | 2021-04-09 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | 3-methyl-5-(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)-2-[(propan-2-yl)amino]pyrimidin-4(3H)-one |
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![ZOV ZOV](https://data.pdbj.org/pdbjplus/data/cc/svg/ZOV.svg) | ZOV | Name: | 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine | Formula: | C19 H15 N5 S2 | SMILES: | Cc1cc(n(C)n1)c1cnc(N)c2c1scc2c1cc2ncsc2cc1 | InChi: | InChI=1S/C19H15N5S2/c1-10-5-15(24(2)23-10)12-7-21-19(20)17-13(8-25-18(12)17)11-3-4-16-14(6-11)22-9-26-16/h3-9H,1-2H3,(H2,20,21) | Synonyms: | GSK'843 | Definition date: | 2021-05-18 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | 3-(1,3-benzothiazol-5-yl)-7-(1,3-dimethyl-1H-pyrazol-5-yl)thieno[3,2-c]pyridin-4-amine |
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![J1O J1O](https://data.pdbj.org/pdbjplus/data/cc/svg/J1O.svg) | J1O | Name: | 4-[[(2R)-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid | Formula: | C10 H20 N O8 P | SMILES: | CC(C)(CO[P](O)(O)=O)[CH](O)C(=O)NCCCC(O)=O | InChi: | InChI=1S/C10H20NO8P/c1-10(2,6-19-20(16,17)18)8(14)9(15)11-5-3-4-7(12)13/h8,14H,3-6H2,1-2H3,(H,11,15)(H,12,13)(H2,16,17,18)/t8-/m0/s1 | Definition date: | 2021-03-19 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | 4-[[(2~{R})-3,3-dimethyl-2-oxidanyl-4-phosphonooxy-butanoyl]amino]butanoic acid |
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![7IH 7IH](https://data.pdbj.org/pdbjplus/data/cc/svg/7IH.svg) | 7IH | Name: | N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide | Formula: | C18 H21 N5 O2 | SMILES: | CC(C)C1CNC(=O)c2cc(nn12)c1ccnc(NC(=O)C2CC2)c1 | InChi: | InChI=1S/C18H21N5O2/c1-10(2)15-9-20-18(25)14-8-13(22-23(14)15)12-5-6-19-16(7-12)21-17(24)11-3-4-11/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,20,25)(H,19,21,24)/t15-/m0/s1 | Definition date: | 2021-08-12 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | N-{4-[(7R,8R)-4-oxo-7-(propan-2-yl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-yl]pyridin-2-yl}cyclopropanecarboxamide |
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![7IK 7IK](https://data.pdbj.org/pdbjplus/data/cc/svg/7IK.svg) | 7IK | Name: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one | Formula: | C14 H22 N4 O2 | SMILES: | CC(C)C1CNC(=O)c2cc(nn21)N1CCOCC1C | InChi: | InChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12+/m1/s1 | Definition date: | 2021-08-12 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one |
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![7IQ 7IQ](https://data.pdbj.org/pdbjplus/data/cc/svg/7IQ.svg) | 7IQ | Name: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one | Formula: | C14 H20 N4 O2 | SMILES: | O=C1NC2CCCC2n2nc(cc21)N1CCOCC1C | InChi: | InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1 | Definition date: | 2021-08-12 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one |
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![7OT 7OT](https://data.pdbj.org/pdbjplus/data/cc/svg/7OT.svg) | 7OT | Name: | SPHEROIDENE | Formula: | C41 H60 O | SMILES: | COC(C)(C)CC=CC(C)=CC=CC(C)=CC=CC(C)=CC=CC=C(C)C=CC=C(C)CCC=C(C)CCC=C(C)C | InChi: | InChI=1S/C41H60O/c1-34(2)20-14-23-37(5)26-17-29-38(6)27-15-24-35(3)21-12-13-22-36(4)25-16-28-39(7)30-18-31-40(8)32-19-33-41(9,10)42-11/h12-13,15-16,18-22,24-28,30-32H,14,17,23,29,33H2,1-11H3/b13-12+,24-15+,25-16+,30-18+,32-19+,35-21+,36-22+,37-26+,38-27+,39-28+,40-31+ | Synonyms: | (6E,10E,12E,14E,16E,18E,20E,22E,24E,26E,28E)-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene | Definition date: | 2021-08-13 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | (6~{E},10~{E},12~{E},14~{E},16~{E},18~{E},20~{E},22~{E},24~{E},26~{E},28~{E})-31-methoxy-2,6,10,14,19,23,27,31-octamethyl-dotriaconta-2,6,10,12,14,16,18,20,22,24,26,28-dodecaene |
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![7PW 7PW](https://data.pdbj.org/pdbjplus/data/cc/svg/7PW.svg) | 7PW | Name: | N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide | Formula: | C32 H22 F3 N5 O2 | SMILES: | Fc1ccc(cc1)c1cc(F)c(c(F)c1)C(Cn1ccnc1)NC(=O)c1ccc(cc1)c1nnc(o1)c1ccccc1 | InChi: | InChI=1S/C32H22F3N5O2/c33-25-12-10-20(11-13-25)24-16-26(34)29(27(35)17-24)28(18-40-15-14-36-19-40)37-30(41)21-6-8-23(9-7-21)32-39-38-31(42-32)22-4-2-1-3-5-22/h1-17,19,28H,18H2,(H,37,41)/t28-/m0/s1 | Definition date: | 2021-08-17 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | N-[(1R)-2-(1H-imidazol-1-yl)-1-(3,4',5-trifluoro[1,1'-biphenyl]-4-yl)ethyl]-4-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide |
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![H60 H60](https://data.pdbj.org/pdbjplus/data/cc/svg/H60.svg) | H60 | Name: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide | Formula: | C23 H31 N3 O4 | SMILES: | CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCCNC2=O)C=O | InChi: | InChI=1S/C23H31N3O4/c1-2-3-11-20(26-21(28)13-12-17-8-5-4-6-9-17)23(30)25-19(16-27)15-18-10-7-14-24-22(18)29/h4-6,8-9,12-13,16,18-20H,2-3,7,10-11,14-15H2,1H3,(H,24,29)(H,25,30)(H,26,28)/b13-12+/t18-,19-,20-/m0/s1 | Definition date: | 2020-11-17 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide |
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![H63 H63](https://data.pdbj.org/pdbjplus/data/cc/svg/H63.svg) | H63 | Name: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide | Formula: | C22 H29 N3 O4 | SMILES: | CCCC[CH](NC(=O)C=Cc1ccccc1)C(=O)N[CH](C[CH]2CCNC2=O)C=O | InChi: | InChI=1S/C22H29N3O4/c1-2-3-9-19(25-20(27)11-10-16-7-5-4-6-8-16)22(29)24-18(15-26)14-17-12-13-23-21(17)28/h4-8,10-11,15,17-19H,2-3,9,12-14H2,1H3,(H,23,28)(H,24,29)(H,25,27)/b11-10+/t17-,18-,19-/m0/s1 | Definition date: | 2020-11-17 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]hexanamide |
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![H6F H6F](https://data.pdbj.org/pdbjplus/data/cc/svg/H6F.svg) | H6F | Name: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide | Formula: | C30 H40 N4 O5 | SMILES: | CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc2ccccc2c1)C(C)C)C(=O)N[CH](C[CH]3CCCNC3=O)C=O | InChi: | InChI=1S/C30H40N4O5/c1-18(2)14-25(29(38)32-24(17-35)16-22-10-7-13-31-27(22)36)33-30(39)26(19(3)4)34-28(37)23-12-11-20-8-5-6-9-21(20)15-23/h5-6,8-9,11-12,15,17-19,22,24-26H,7,10,13-14,16H2,1-4H3,(H,31,36)(H,32,38)(H,33,39)(H,34,37)/t22-,24-,25-,26-/m0/s1 | Definition date: | 2020-11-18 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]naphthalene-2-carboxamide |
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![H6L H6L](https://data.pdbj.org/pdbjplus/data/cc/svg/H6L.svg) | H6L | Name: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide | Formula: | C26 H37 N5 O7 | SMILES: | CC(C)C[CH](NC(=O)[CH](NC(=O)c1ccc(cc1)[N+]([O-])=O)C(C)C)C(=O)N[CH](C[CH]2CCCNC2=O)C=O | InChi: | InChI=1S/C26H37N5O7/c1-15(2)12-21(25(35)28-19(14-32)13-18-6-5-11-27-23(18)33)29-26(36)22(16(3)4)30-24(34)17-7-9-20(10-8-17)31(37)38/h7-10,14-16,18-19,21-22H,5-6,11-13H2,1-4H3,(H,27,33)(H,28,35)(H,29,36)(H,30,34)/t18-,19-,21-,22-/m0/s1 | Definition date: | 2020-11-19 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | ~{N}-[(2~{S})-3-methyl-1-[[(2~{S})-4-methyl-1-oxidanylidene-1-[[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]amino]pentan-2-yl]amino]-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide |
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![H6R H6R](https://data.pdbj.org/pdbjplus/data/cc/svg/H6R.svg) | H6R | Name: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide | Formula: | C21 H23 N3 O4 | SMILES: | O=C[CH](C[CH]1CCNC1=O)NC(=O)[CH](CC#C)NC(=O)C=Cc2ccccc2 | InChi: | InChI=1S/C21H23N3O4/c1-2-6-18(24-19(26)10-9-15-7-4-3-5-8-15)21(28)23-17(14-25)13-16-11-12-22-20(16)27/h1,3-5,7-10,14,16-18H,6,11-13H2,(H,22,27)(H,23,28)(H,24,26)/b10-9+/t16-,17-,18-/m0/s1 | Definition date: | 2020-11-19 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | (2~{S})-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]-2-[[(~{E})-3-phenylprop-2-enoyl]amino]pent-4-ynamide |
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![H80 H80](https://data.pdbj.org/pdbjplus/data/cc/svg/H80.svg) | H80 | Name: | [2,7-dimethoxy-9-[[(3S)-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol | Formula: | C21 H24 N2 O3 S | SMILES: | COc1ccc2nc3c(CO)cc(OC)cc3c(SC[CH]4CCNC4)c2c1 | InChi: | InChI=1S/C21H24N2O3S/c1-25-15-3-4-19-17(8-15)21(27-12-13-5-6-22-10-13)18-9-16(26-2)7-14(11-24)20(18)23-19/h3-4,7-9,13,22,24H,5-6,10-12H2,1-2H3/t13-/m0/s1 | Definition date: | 2020-11-24 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | [2,7-dimethoxy-9-[[(3~{S})-pyrrolidin-3-yl]methylsulfanyl]acridin-4-yl]methanol |
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![H8U H8U](https://data.pdbj.org/pdbjplus/data/cc/svg/H8U.svg) | H8U | Name: | Paraherquamide A | Formula: | C28 H35 N3 O5 | SMILES: | CN1C(=O)[C]23C[CH]4C(C)(C)[C]5(C[C]14CN2CC[C]3(C)O)C(=O)Nc6c7OC=CC(C)(C)Oc7ccc56 | InChi: | InChI=1S/C28H35N3O5/c1-23(2)10-12-35-20-17(36-23)8-7-16-19(20)29-21(32)27(16)14-26-15-31-11-9-25(5,34)28(31,22(33)30(26)6)13-18(26)24(27,3)4/h7-8,10,12,18,34H,9,11,13-15H2,1-6H3,(H,29,32)/t18-,25+,26+,27+,28-/m0/s1 | Definition date: | 2020-11-27 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 |
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![7UK 7UK](https://data.pdbj.org/pdbjplus/data/cc/svg/7UK.svg) | 7UK | Name: | (R)-4-hydroxy-2-pyrrolidone | Formula: | C4 H7 N O2 | SMILES: | O[CH]1CNC(=O)C1 | InChi: | InChI=1S/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7)/t3-/m1/s1 | Synonyms: | (4R)-4-oxidanylpyrrolidin-2-one | Definition date: | 2021-09-01 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | (4~{R})-4-oxidanylpyrrolidin-2-one |
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![HFX HFX](https://data.pdbj.org/pdbjplus/data/cc/svg/HFX.svg) | HFX | Name: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5H-2-benzothiophen-4-one | Formula: | C9 H9 Cl O2 S2 | SMILES: | C[S](=O)c1sc(Cl)c2CCCC(=O)c12 | InChi: | InChI=1S/C9H9ClO2S2/c1-14(12)9-7-5(8(10)13-9)3-2-4-6(7)11/h2-4H2,1H3/t14-/m0/s1 | Definition date: | 2021-01-06 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | 1-chloranyl-3-methylsulfinyl-6,7-dihydro-5~{H}-2-benzothiophen-4-one |
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![S8W S8W](https://data.pdbj.org/pdbjplus/data/cc/svg/S8W.svg) | S8W | Name: | ~{N}-[2-[(1~{R},2~{R})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide | Formula: | C22 H24 N8 O | SMILES: | CC(=O)Nc1cc(Nc2cc(NC3CC3)n4ncc(C#N)c4n2)ccc1[CH]5C[CH]5CN | InChi: | InChI=1S/C22H24N8O/c1-12(31)26-19-7-16(4-5-17(19)18-6-13(18)9-23)27-20-8-21(28-15-2-3-15)30-22(29-20)14(10-24)11-25-30/h4-5,7-8,11,13,15,18,28H,2-3,6,9,23H2,1H3,(H,26,31)(H,27,29)/t13-,18+/m0/s1 | Definition date: | 2020-11-11 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | ~{N}-[2-[(1~{R},2~{R})-2-(aminomethyl)cyclopropyl]-5-[[3-cyano-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-5-yl]amino]phenyl]ethanamide |
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![S92 S92](https://data.pdbj.org/pdbjplus/data/cc/svg/S92.svg) | S92 | Name: | 7-(cyclopropylamino)-5-(5-(6-oxo-1,6-dihydropyridin-3-yl)-1-(2-(piperidin-1-yl)ethyl)-1H-1,2,3-triazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile | Formula: | C24 H26 N10 O | SMILES: | O=C1NC=C(C=C1)c2n(CCN3CCCCC3)nnc2c4cc(NC5CC5)n6ncc(C#N)c6n4 | InChi: | InChI=1S/C24H26N10O/c25-13-17-15-27-34-20(28-18-5-6-18)12-19(29-24(17)34)22-23(16-4-7-21(35)26-14-16)33(31-30-22)11-10-32-8-2-1-3-9-32/h4,7,12,14-15,18,28H,1-3,5-6,8-11H2,(H,26,35) | Definition date: | 2020-11-11 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | 7-(cyclopropylamino)-5-[5-(6-oxidanylidene-1~{H}-pyridin-3-yl)-1-(2-piperidin-1-ylethyl)-1,2,3-triazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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![S95 S95](https://data.pdbj.org/pdbjplus/data/cc/svg/S95.svg) | S95 | Name: | isoquinoline-5-sulfonic acid | Formula: | C9 H7 N O3 S | SMILES: | O[S](=O)(=O)c1cccc2cnccc12 | InChi: | InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13) | Definition date: | 2020-11-12 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | isoquinoline-5-sulfonic acid |
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![S9B S9B](https://data.pdbj.org/pdbjplus/data/cc/svg/S9B.svg) | S9B | Name: | isoquinoline-5-carboxylic acid | Formula: | C10 H7 N O2 | SMILES: | OC(=O)c1cccc2cnccc12 | InChi: | InChI=1S/C10H7NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13) | Definition date: | 2020-11-12 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | isoquinoline-5-carboxylic acid |
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![RWH RWH](https://data.pdbj.org/pdbjplus/data/cc/svg/RWH.svg) | RWH | Name: | 3-(3-methyl-3-phenethylureido)benzenesulfonamide | Formula: | C16 H19 N3 O3 S | SMILES: | CN(CCc1ccccc1)C(=O)Nc2cccc(c2)[S](N)(=O)=O | InChi: | InChI=1S/C16H19N3O3S/c1-19(11-10-13-6-3-2-4-7-13)16(20)18-14-8-5-9-15(12-14)23(17,21)22/h2-9,12H,10-11H2,1H3,(H,18,20)(H2,17,21,22) | Synonyms: | 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea | Definition date: | 2020-10-27 | Last modified: | 2021-11-19 | Release date: | 2021-11-24 | Identifier: | 1-methyl-1-(2-phenylethyl)-3-(3-sulfamoylphenyl)urea |
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