![KUH KUH](https://data.pdbj.org/pdbjplus/data/cc/svg/KUH.svg) | KUH | Name: | ~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Formula: | C22 H29 N3 O5 S | SMILES: | CCN(CC)[S](=O)(=O)c1ccc(OC)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)c1 | InChi: | InChI=1S/C22H29N3O5S/c1-5-25(6-2)31(28,29)15-11-12-19(30-4)17(13-15)24-22(27)21-16-9-7-8-10-18(26)20(16)14(3)23-21/h11-13,23H,5-10H2,1-4H3,(H,24,27) | Definition date: | 2019-06-27 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | ~{N}-[5-(diethylsulfamoyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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![KXK KXK](https://data.pdbj.org/pdbjplus/data/cc/svg/KXK.svg) | KXK | Name: | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Formula: | C24 H31 N3 O5 S | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCCC4 | InChi: | InChI=1S/C24H31N3O5S/c1-16-22-18(9-5-6-10-20(22)28)23(25-16)24(29)26-19-15-17(11-12-21(19)32-2)33(30,31)27-13-7-3-4-8-14-27/h11-12,15,25H,3-10,13-14H2,1-2H3,(H,26,29) | Definition date: | 2019-07-03 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | ~{N}-[5-(azepan-1-ylsulfonyl)-2-methoxy-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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![L25 L25](https://data.pdbj.org/pdbjplus/data/cc/svg/L25.svg) | L25 | Name: | ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Formula: | C22 H27 N3 O6 S | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCOCC4 | InChi: | InChI=1S/C22H27N3O6S/c1-14-20-16(5-3-4-6-18(20)26)21(23-14)22(27)24-17-13-15(7-8-19(17)30-2)32(28,29)25-9-11-31-12-10-25/h7-8,13,23H,3-6,9-12H2,1-2H3,(H,24,27) | Definition date: | 2019-07-16 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | ~{N}-(2-methoxy-5-morpholin-4-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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![L2N L2N](https://data.pdbj.org/pdbjplus/data/cc/svg/L2N.svg) | L2N | Name: | ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Formula: | C23 H30 N4 O5 S | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCN(C)CC4 | InChi: | InChI=1S/C23H30N4O5S/c1-15-21-17(6-4-5-7-19(21)28)22(24-15)23(29)25-18-14-16(8-9-20(18)32-3)33(30,31)27-12-10-26(2)11-13-27/h8-9,14,24H,4-7,10-13H2,1-3H3,(H,25,29) | Definition date: | 2019-07-16 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | ~{N}-[2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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![L2W L2W](https://data.pdbj.org/pdbjplus/data/cc/svg/L2W.svg) | L2W | Name: | ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Formula: | C23 H29 N3 O5 S | SMILES: | COc1ccc(cc1NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)[S](=O)(=O)N4CCCCC4 | InChi: | InChI=1S/C23H29N3O5S/c1-15-21-17(8-4-5-9-19(21)27)22(24-15)23(28)25-18-14-16(10-11-20(18)31-2)32(29,30)26-12-6-3-7-13-26/h10-11,14,24H,3-9,12-13H2,1-2H3,(H,25,28) | Definition date: | 2019-07-17 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | ~{N}-(2-methoxy-5-piperidin-1-ylsulfonyl-phenyl)-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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![L45 L45](https://data.pdbj.org/pdbjplus/data/cc/svg/L45.svg) | L45 | Name: | ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Formula: | C21 H27 N3 O5 S | SMILES: | CCN(CC)[S](=O)(=O)c1ccc(O)c(NC(=O)c2[nH]c(C)c3C(=O)CCCCc23)c1 | InChi: | InChI=1S/C21H27N3O5S/c1-4-24(5-2)30(28,29)14-10-11-17(25)16(12-14)23-21(27)20-15-8-6-7-9-18(26)19(15)13(3)22-20/h10-12,22,25H,4-9H2,1-3H3,(H,23,27) | Definition date: | 2019-07-19 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | ~{N}-[5-(diethylsulfamoyl)-2-oxidanyl-phenyl]-3-methyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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![OM4 OM4](https://data.pdbj.org/pdbjplus/data/cc/svg/OM4.svg) | OM4 | Name: | 1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene | Formula: | C13 H9 Cl3 O | SMILES: | COc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2 | InChi: | InChI=1S/C13H9Cl3O/c1-17-13-5-3-9(7-12(13)16)8-2-4-10(14)11(15)6-8/h2-7H,1H3 | Definition date: | 2016-09-26 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1,2-bis(chloranyl)-4-(3-chloranyl-4-methoxy-phenyl)benzene |
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![OMF OMF](https://data.pdbj.org/pdbjplus/data/cc/svg/OMF.svg) | OMF | Name: | 1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene | Formula: | C13 H8 Cl4 O | SMILES: | COc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2 | InChi: | InChI=1S/C13H8Cl4O/c1-18-12-3-2-7(4-9(12)14)8-5-10(15)13(17)11(16)6-8/h2-6H,1H3 | Definition date: | 2016-09-26 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1,2,3-tris(chloranyl)-5-(3-chloranyl-4-methoxy-phenyl)benzene |
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![81F 81F](https://data.pdbj.org/pdbjplus/data/cc/svg/81F.svg) | 81F | Name: | 1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine | Formula: | C22 H28 Br N3 | SMILES: | Cc1cccc(c1)C4CCC(N2CCN(CC2)c3cc(cnc3)Br)CC4 | InChi: | InChI=1S/C22H28BrN3/c1-17-3-2-4-19(13-17)18-5-7-21(8-6-18)25-9-11-26(12-10-25)22-14-20(23)15-24-16-22/h2-4,13-16,18,21H,5-12H2,1H3/t18-,21+ | Definition date: | 2020-09-16 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1-(5-bromopyridin-3-yl)-4-[cis-4-(3-methylphenyl)cyclohexyl]piperazine |
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![QOG QOG](https://data.pdbj.org/pdbjplus/data/cc/svg/QOG.svg) | QOG | Name: | 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide | Formula: | C6 H11 N5 O3 S2 | SMILES: | C(C)(C)NC(=O)Nc1sc(S(N)(=O)=O)nn1 | InChi: | InChI=1S/C6H11N5O3S2/c1-3(2)8-4(12)9-5-10-11-6(15-5)16(7,13)14/h3H,1-2H3,(H2,7,13,14)(H2,8,9,10,12) | Definition date: | 2019-12-02 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-{[(propan-2-yl)carbamoyl]amino}-1,3,4-thiadiazole-2-sulfonamide |
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![QPY QPY](https://data.pdbj.org/pdbjplus/data/cc/svg/QPY.svg) | QPY | Name: | benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate | Formula: | C24 H25 N9 O5 | SMILES: | C(c1ccccc1)OC(N5C(C=4NC(=O)C(O)=C(C(=O)NCCn3cnc2c(ncnc23)N)N=4)CCC5)=O | InChi: | InChI=1S/C24H25N9O5/c25-19-17-21(28-12-27-19)32(13-29-17)10-8-26-22(35)16-18(34)23(36)31-20(30-16)15-7-4-9-33(15)24(37)38-11-14-5-2-1-3-6-14/h1-3,5-6,12-13,15,34H,4,7-11H2,(H,26,35)(H2,25,27,28)(H,30,31,36)/t15-/m0/s1 | Definition date: | 2019-12-06 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | benzyl (2S)-2-(4-{[2-(6-amino-9H-purin-9-yl)ethyl]carbamoyl}-5-hydroxy-6-oxo-1,6-dihydropyrimidin-2-yl)pyrrolidine-1-carboxylate |
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![QQP QQP](https://data.pdbj.org/pdbjplus/data/cc/svg/QQP.svg) | QQP | Name: | N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide | Formula: | C19 H15 F3 N8 O3 | SMILES: | n3cn(CCNC(C2=C(C(NC(c1ccccc1C(F)(F)F)=N2)=O)O)=O)c4c3c(N)ncn4 | InChi: | InChI=1S/C19H15F3N8O3/c20-19(21,22)10-4-2-1-3-9(10)15-28-11(13(31)18(33)29-15)17(32)24-5-6-30-8-27-12-14(23)25-7-26-16(12)30/h1-4,7-8,31H,5-6H2,(H,24,32)(H2,23,25,26)(H,28,29,33) | Definition date: | 2019-12-09 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | N-[2-(6-amino-9H-purin-9-yl)ethyl]-5-hydroxy-6-oxo-2-[2-(trifluoromethyl)phenyl]-1,6-dihydropyrimidine-4-carboxamide |
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![QRV QRV](https://data.pdbj.org/pdbjplus/data/cc/svg/QRV.svg) | QRV | Name: | 2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1H-purin-7-ium | Formula: | C20 H27 F N6 O8 P | SMILES: | c3n(C1C(C(C(COP(O)(O)=O)O1)O)F)c2c(C(NC(N)=N2)=O)[n+]3CCN(c4ccccc4)CCO | InChi: | InChI=1S/C20H26FN6O8P/c21-14-16(29)13(10-34-36(31,32)33)35-19(14)27-11-26(15-17(27)23-20(22)24-18(15)30)7-6-25(8-9-28)12-4-2-1-3-5-12/h1-5,11,13-14,16,19,28-29H,6-10H2,(H4-,22,23,24,30,31,32,33)/p+1/t13-,14+,16-,19-/m1/s1 | Definition date: | 2019-12-13 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 2-amino-9-(2-deoxy-2-fluoro-5-O-phosphono-beta-D-arabinofuranosyl)-7-{2-[(2-hydroxyethyl)(phenyl)amino]ethyl}-6-oxo-6,9-dihydro-1H-purin-7-ium |
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![QWN QWN](https://data.pdbj.org/pdbjplus/data/cc/svg/QWN.svg) | QWN | Name: | 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine | Formula: | C5 H2 Br Cl N4 | SMILES: | Clc1nc2nn[nH]c2cc1Br | InChi: | InChI=1S/C5H2BrClN4/c6-2-1-3-5(8-4(2)7)10-11-9-3/h1H,(H,8,9,10,11) | Definition date: | 2020-08-14 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 6-bromanyl-5-chloranyl-1~{H}-[1,2,3]triazolo[4,5-b]pyridine |
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![QWW QWW](https://data.pdbj.org/pdbjplus/data/cc/svg/QWW.svg) | QWW | Name: | 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine | Formula: | C5 H Br3 N4 | SMILES: | Brc1nc2nn[nH]c2c(Br)c1Br | InChi: | InChI=1S/C5HBr3N4/c6-1-2(7)4(8)9-5-3(1)10-12-11-5/h(H,9,10,11,12) | Definition date: | 2020-08-17 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5,6,7-tris(bromanyl)-1~{H}-[1,2,3]triazolo[4,5-b]pyridine |
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![QX2 QX2](https://data.pdbj.org/pdbjplus/data/cc/svg/QX2.svg) | QX2 | Name: | 5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine | Formula: | C6 H2 Br3 N3 | SMILES: | Brc1nc2nc[nH]c2c(Br)c1Br | InChi: | InChI=1S/C6H2Br3N3/c7-2-3(8)5(9)12-6-4(2)10-1-11-6/h1H,(H,10,11,12) | Definition date: | 2020-08-18 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5,6,7-tris(bromanyl)-1~{H}-imidazo[4,5-b]pyridine |
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![KLK KLK](https://data.pdbj.org/pdbjplus/data/cc/svg/KLK.svg) | KLK | Name: | ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide | Formula: | C12 H16 N2 O2 | SMILES: | CNC(=O)c1[nH]c(C)c2C(=O)CCCCc12 | InChi: | InChI=1S/C12H16N2O2/c1-7-10-8(5-3-4-6-9(10)15)11(14-7)12(16)13-2/h14H,3-6H2,1-2H3,(H,13,16) | Definition date: | 2019-06-05 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | ~{N},3-dimethyl-4-oxidanylidene-5,6,7,8-tetrahydro-2~{H}-cyclohepta[c]pyrrole-1-carboxamide |
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![QBK QBK](https://data.pdbj.org/pdbjplus/data/cc/svg/QBK.svg) | QBK | Name: | 5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione | Formula: | C5 H2 N4 O2 S | SMILES: | NC1=NC(=O)C2=NC(=O)SC2=N1 | InChi: | InChI=1S/C5H2N4O2S/c6-4-8-2(10)1-3(9-4)12-5(11)7-1/h(H2,6,8,10) | Definition date: | 2020-06-02 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-azanyl-[1,3]thiazolo[5,4-d]pyrimidine-2,7-dione |
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![RJH RJH](https://data.pdbj.org/pdbjplus/data/cc/svg/RJH.svg) | RJH | Name: | 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea | Formula: | C21 H25 Cl N6 O4 | SMILES: | COC[CH]1COCCN1c2n3nc(C)cc3ncc2NC(=O)Nc4ccc(OC)c(Cl)c4 | InChi: | InChI=1S/C21H25ClN6O4/c1-13-8-19-23-10-17(25-21(29)24-14-4-5-18(31-3)16(22)9-14)20(28(19)26-13)27-6-7-32-12-15(27)11-30-2/h4-5,8-10,15H,6-7,11-12H2,1-3H3,(H2,24,25,29)/t15-/m0/s1 | Definition date: | 2020-09-30 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1-(3-chloranyl-4-methoxy-phenyl)-3-[7-[(3~{S})-3-(methoxymethyl)morpholin-4-yl]-2-methyl-pyrazolo[1,5-a]pyrimidin-6-yl]urea |
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![RJK RJK](https://data.pdbj.org/pdbjplus/data/cc/svg/RJK.svg) | RJK | Name: | 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea | Formula: | C20 H19 Br Cl N5 O2 | SMILES: | NCc1cnn(c1)c2ccc(NC(=O)N[CH]3COc4ccc(Br)cc4C3)cc2Cl | InChi: | InChI=1S/C20H19BrClN5O2/c21-14-1-4-19-13(5-14)6-16(11-29-19)26-20(28)25-15-2-3-18(17(22)7-15)27-10-12(8-23)9-24-27/h1-5,7,9-10,16H,6,8,11,23H2,(H2,25,26,28)/t16-/m1/s1 | Definition date: | 2020-09-30 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 1-[4-[4-(aminomethyl)pyrazol-1-yl]-3-chloranyl-phenyl]-3-[(3~{R})-6-bromanyl-3,4-dihydro-2~{H}-chromen-3-yl]urea |
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![5GK 5GK](https://data.pdbj.org/pdbjplus/data/cc/svg/5GK.svg) | 5GK | Name: | 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one | Formula: | C23 H28 F3 N3 O | SMILES: | C1(NC=C(C=C1)CN4CCN(C3CCC(c2cc(ccc2)C(F)(F)F)CC3)CC4)=O | InChi: | InChI=1S/C23H28F3N3O/c24-23(25,26)20-3-1-2-19(14-20)18-5-7-21(8-6-18)29-12-10-28(11-13-29)16-17-4-9-22(30)27-15-17/h1-4,9,14-15,18,21H,5-8,10-13,16H2,(H,27,30)/t18-,21+ | Definition date: | 2020-09-16 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-[(4-{cis-4-[3-(trifluoromethyl)phenyl]cyclohexyl}piperazin-1-yl)methyl]pyridin-2(1H)-one |
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![S9Q S9Q](https://data.pdbj.org/pdbjplus/data/cc/svg/S9Q.svg) | S9Q | Name: | 5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one | Formula: | C16 H14 Cl F3 N4 O2 | SMILES: | FC(F)(F)c1ccccc1CN2CCN(CC2=O)C3=C(Cl)C(=O)NN=C3 | InChi: | InChI=1S/C16H14ClF3N4O2/c17-14-12(7-21-22-15(14)26)23-5-6-24(13(25)9-23)8-10-3-1-2-4-11(10)16(18,19)20/h1-4,7H,5-6,8-9H2,(H,22,26) | Definition date: | 2020-11-13 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-chloranyl-4-[3-oxidanylidene-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]-1~{H}-pyridazin-6-one |
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![SJG SJG](https://data.pdbj.org/pdbjplus/data/cc/svg/SJG.svg) | SJG | Name: | ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate | Formula: | C28 H30 N6 O3 | SMILES: | CCOC(=O)Nc1cccc2c(Oc3ncccc3c4ccnc(N[CH]5CCCNC5)n4)c(C)ccc12 | InChi: | InChI=1S/C28H30N6O3/c1-3-36-28(35)34-23-10-4-8-21-20(23)12-11-18(2)25(21)37-26-22(9-6-15-30-26)24-13-16-31-27(33-24)32-19-7-5-14-29-17-19/h4,6,8-13,15-16,19,29H,3,5,7,14,17H2,1-2H3,(H,34,35)(H,31,32,33)/t19-/m0/s1 | Definition date: | 2020-03-10 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | ethyl ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]carbamate |
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![SJK SJK](https://data.pdbj.org/pdbjplus/data/cc/svg/SJK.svg) | SJK | Name: | 5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide | Formula: | C9 H11 N3 O2 S2 | SMILES: | SCCNC(=O)C1=CN=C2SCCN2C1=O | InChi: | InChI=1S/C9H11N3O2S2/c13-7(10-1-3-15)6-5-11-9-12(8(6)14)2-4-16-9/h5,15H,1-4H2,(H,10,13) | Definition date: | 2020-11-17 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | 5-oxidanylidene-~{N}-(2-sulfanylethyl)-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide |
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![SJM SJM](https://data.pdbj.org/pdbjplus/data/cc/svg/SJM.svg) | SJM | Name: | ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide | Formula: | C29 H28 N6 O2 | SMILES: | CC#CC(=O)Nc1cccc2c(Oc3ncccc3c4ccnc(N[CH]5CCCNC5)n4)c(C)ccc12 | InChi: | InChI=1S/C29H28N6O2/c1-3-7-26(36)34-24-11-4-9-22-21(24)13-12-19(2)27(22)37-28-23(10-6-16-31-28)25-14-17-32-29(35-25)33-20-8-5-15-30-18-20/h4,6,9-14,16-17,20,30H,5,8,15,18H2,1-2H3,(H,34,36)(H,32,33,35)/t20-/m0/s1 | Definition date: | 2020-03-10 | Last modified: | 2020-12-04 | Release date: | 2020-12-09 | Identifier: | ~{N}-[6-methyl-5-[3-[2-[[(3~{S})-piperidin-3-yl]amino]pyrimidin-4-yl]pyridin-2-yl]oxy-naphthalen-1-yl]but-2-ynamide |
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