| HV4 | Name: | (5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one | Formula: | C13 H9 N O2 S2 | SMILES: | C(#C)COc1ccc(cc1)C=C2/SC(=S)NC2=O | InChi: | InChI=1S/C13H9NO2S2/c1-2-7-16-10-5-3-9(4-6-10)8-11-12(15)14-13(17)18-11/h1,3-6,8H,7H2,(H,14,15,17)/b11-8- | Definition date: | 2018-07-23 | Last modified: | 2019-03-08 | Release date: | 2019-03-13 | Identifier: | (5Z)-5-({4-[(prop-2-yn-1-yl)oxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one |
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| 9NX | Name: | 5-bromanyl-2-methoxy-4-[(E)-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol | Formula: | C17 H15 Br N4 O2 S | SMILES: | COc1cc(C=Nn2c(SC)nnc2c3ccccc3)c(Br)cc1O | InChi: | InChI=1S/C17H15BrN4O2S/c1-24-15-8-12(13(18)9-14(15)23)10-19-22-16(20-21-17(22)25-2)11-6-4-3-5-7-11/h3-10,23H,1-2H3/b19-10+ | Definition date: | 2018-06-11 | Last modified: | 2019-03-01 | Release date: | 2019-03-06 | Identifier: | 5-bromanyl-2-methoxy-4-[(~{E})-(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)iminomethyl]phenol |
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| KUV | Name: | 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide | Formula: | C20 H22 F3 N7 O S | SMILES: | n3(c(c(NC(c2nc(c1c(cccc1F)F)sc2N)=O)cn3)N4CCC(C(F)CC4)N)C | InChi: | InChI=1S/C20H22F3N7OS/c1-29-20(30-7-5-10(21)13(24)6-8-30)14(9-26-29)27-18(31)16-17(25)32-19(28-16)15-11(22)3-2-4-12(15)23/h2-4,9-10,13H,5-8,24-25H2,1H3,(H,27,31)/t10-,13-/m1/s1 | Definition date: | 2019-01-16 | Last modified: | 2019-02-22 | Release date: | 2019-02-27 | Identifier: | 5-amino-N-{5-[(4R,5R)-4-amino-5-fluoroazepan-1-yl]-1-methyl-1H-pyrazol-4-yl}-2-(2,6-difluorophenyl)-1,3-thiazole-4-carboxamide |
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| J8A | Name: | 3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide | Formula: | C29 H27 F3 N6 O2 S | SMILES: | c1cc(cc(c1)C(Nc3ccc(CN2CCNCC2)c(c3)C(F)(F)F)=O)c5ccc6nc(NC(=O)C4CC4)sc6n5 | InChi: | InChI=1S/C29H27F3N6O2S/c30-29(31,32)22-15-21(7-6-20(22)16-38-12-10-33-11-13-38)34-26(40)19-3-1-2-18(14-19)23-8-9-24-27(35-23)41-28(36-24)37-25(39)17-4-5-17/h1-3,6-9,14-15,17,33H,4-5,10-13,16H2,(H,34,40)(H,36,37,39) | Definition date: | 2018-08-22 | Last modified: | 2019-02-15 | Release date: | 2019-02-20 | Identifier: | 3-{2-[(cyclopropanecarbonyl)amino][1,3]thiazolo[5,4-b]pyridin-5-yl}-N-{4-[(piperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl}benzamide |
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| G6Z | Name: | 1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide | Formula: | C15 H17 N5 O2 S | SMILES: | CC(=O)c1nc(NC(=O)C2(N)CCC2)sc1c3cncc(N)c3 | InChi: | InChI=1S/C15H17N5O2S/c1-8(21)11-12(9-5-10(16)7-18-6-9)23-14(19-11)20-13(22)15(17)3-2-4-15/h5-7H,2-4,16-17H2,1H3,(H,19,20,22) | Definition date: | 2018-08-29 | Last modified: | 2019-02-15 | Release date: | 2019-02-20 | Identifier: | 1-azanyl-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]cyclobutane-1-carboxamide |
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| G7E | Name: | ~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide | Formula: | C21 H25 N5 O4 S | SMILES: | CC(=O)c1nc(NC(=O)C2CNCCN2)sc1c3ccc(cc3)C(=O)N4CCOCC4 | InChi: | InChI=1S/C21H25N5O4S/c1-13(27)17-18(31-21(24-17)25-19(28)16-12-22-6-7-23-16)14-2-4-15(5-3-14)20(29)26-8-10-30-11-9-26/h2-5,16,22-23H,6-12H2,1H3,(H,24,25,28) | Definition date: | 2018-08-29 | Last modified: | 2019-02-15 | Release date: | 2019-02-20 | Identifier: | ~{N}-[4-ethanoyl-5-(4-morpholin-4-ylcarbonylphenyl)-1,3-thiazol-2-yl]piperazine-2-carboxamide |
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| G7H | Name: | (2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide | Formula: | C20 H23 N5 O3 S | SMILES: | CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3ccc(cc3)N4CCCC4=O | InChi: | InChI=1S/C20H23N5O3S/c1-12(26)17-18(13-4-6-14(7-5-13)25-10-2-3-16(25)27)29-20(23-17)24-19(28)15-11-21-8-9-22-15/h4-7,15,21-22H,2-3,8-11H2,1H3,(H,23,24,28)/t15-/m1/s1 | Definition date: | 2018-08-29 | Last modified: | 2019-02-15 | Release date: | 2019-02-20 | Identifier: | (2~{R})-~{N}-[4-ethanoyl-5-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]-1,3-thiazol-2-yl]piperazine-2-carboxamide |
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| FGE | Name: | ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide | Formula: | C14 H12 N4 O4 S2 | SMILES: | CC(=O)Nc1sc(c(C)n1)c2cc3C=NC(=O)c3c(c2)[S](N)(=O)=O | InChi: | InChI=1S/C14H12N4O4S2/c1-6-12(23-14(17-6)18-7(2)19)8-3-9-5-16-13(20)11(9)10(4-8)24(15,21)22/h3-5H,1-2H3,(H2,15,21,22)(H,17,18,19) | Definition date: | 2018-06-28 | Last modified: | 2019-02-01 | Release date: | 2019-02-06 | Identifier: | ~{N}-[4-methyl-5-(1-oxidanylidene-7-sulfamoyl-isoindol-5-yl)-1,3-thiazol-2-yl]ethanamide |
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| J0T | Name: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol | Formula: | C25 H26 F2 N6 O5 S | SMILES: | OC[CH]1O[CH](SC[CH](O)Cn2cc(nn2)c3cccc(F)c3)[CH](O)[CH]([CH]1O)n4cc(nn4)c5cccc(F)c5 | InChi: | InChI=1S/C25H26F2N6O5S/c26-16-5-1-3-14(7-16)19-10-32(30-28-19)9-18(35)13-39-25-24(37)22(23(36)21(12-34)38-25)33-11-20(29-31-33)15-4-2-6-17(27)8-15/h1-8,10-11,18,21-25,34-37H,9,12-13H2/t18-,21-,22+,23+,24-,25+/m1/s1 | Definition date: | 2019-01-11 | Last modified: | 2019-01-18 | Release date: | 2019-01-23 | Identifier: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{R})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol |
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| J1E | Name: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol | Formula: | C25 H26 F2 N6 O5 S | SMILES: | OC[CH]1O[CH](SC[CH](O)Cn2cc(nn2)c3cccc(F)c3)[CH](O)[CH]([CH]1O)n4cc(nn4)c5cccc(F)c5 | InChi: | InChI=1S/C25H26F2N6O5S/c26-16-5-1-3-14(7-16)19-10-32(30-28-19)9-18(35)13-39-25-24(37)22(23(36)21(12-34)38-25)33-11-20(29-31-33)15-4-2-6-17(27)8-15/h1-8,10-11,18,21-25,34-37H,9,12-13H2/t18-,21+,22-,23-,24+,25-/m0/s1 | Definition date: | 2019-01-11 | Last modified: | 2019-01-18 | Release date: | 2019-01-23 | Identifier: | (2~{S},3~{R},4~{S},5~{R},6~{R})-4-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-[(2~{S})-3-[4-(3-fluorophenyl)-1,2,3-triazol-1-yl]-2-oxidanyl-propyl]sulfanyl-6-(hydroxymethyl)oxane-3,5-diol |
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| 94D | Name: | {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid | Formula: | C11 H15 N2 O4 P S | SMILES: | c2(c1c(sc(N)n1)CC(C)C)ccc(o2)P(O)(O)=O | InChi: | InChI=1S/C11H15N2O4PS/c1-6(2)5-8-10(13-11(12)19-8)7-3-4-9(17-7)18(14,15)16/h3-4,6H,5H2,1-2H3,(H2,12,13)(H2,14,15,16) | Definition date: | 2017-04-03 | Last modified: | 2019-01-04 | Release date: | 2019-01-09 | Identifier: | {5-[2-amino-5-(2-methylpropyl)-1,3-thiazol-4-yl]furan-2-yl}phosphonic acid |
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| 94V | Name: | N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide | Formula: | C10 H7 Br Cl N3 O3 S2 | SMILES: | c1(sc(nc1)NC(=O)NS(c2ccccc2Cl)(=O)=O)Br | InChi: | InChI=1S/C10H7BrClN3O3S2/c11-8-5-13-10(19-8)14-9(16)15-20(17,18)7-4-2-1-3-6(7)12/h1-5H,(H2,13,14,15,16) | Definition date: | 2017-04-03 | Last modified: | 2019-01-04 | Release date: | 2019-01-09 | Identifier: | N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-2-chlorobenzene-1-sulfonamide |
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| 95P | Name: | 4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide | Formula: | C8 H4 Br2 Cl N3 O3 S3 | SMILES: | c1(sc(cn1)Br)NC(=O)NS(c2cc(c(Cl)s2)Br)(=O)=O | InChi: | InChI=1S/C8H4Br2ClN3O3S3/c9-3-1-5(19-6(3)11)20(16,17)14-7(15)13-8-12-2-4(10)18-8/h1-2H,(H2,12,13,14,15) | Definition date: | 2017-04-03 | Last modified: | 2019-01-04 | Release date: | 2019-01-09 | Identifier: | 4-bromo-N-[(5-bromo-1,3-thiazol-2-yl)carbamoyl]-5-chlorothiophene-2-sulfonamide |
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| GFK | Name: | 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one | Formula: | C19 H19 F3 N4 O3 S | SMILES: | COc1ccc2nc(sc2c1)c3noc(n3)C4CCN(CC4)C(=O)CCC(F)(F)F | InChi: | InChI=1S/C19H19F3N4O3S/c1-28-12-2-3-13-14(10-12)30-18(23-13)16-24-17(29-25-16)11-5-8-26(9-6-11)15(27)4-7-19(20,21)22/h2-3,10-11H,4-9H2,1H3 | Definition date: | 2018-09-17 | Last modified: | 2018-12-21 | Release date: | 2018-12-26 | Identifier: | 4,4,4-tris(fluoranyl)-1-[4-[3-(6-methoxy-1,3-benzothiazol-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]butan-1-one |
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| 2VN | Name: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid | Formula: | C29 H46 N2 O3 S | SMILES: | O=C(NC1CCCCC1)N(CCc2ccc(SC(C(=O)O)(C)C)cc2)CCCCC3CCCCC3 | InChi: | InChI=1S/C29H46N2O3S/c1-29(2,27(32)33)35-26-18-16-24(17-19-26)20-22-31(28(34)30-25-14-7-4-8-15-25)21-10-9-13-23-11-5-3-6-12-23/h16-19,23,25H,3-15,20-22H2,1-2H3,(H,30,34)(H,32,33) | Definition date: | 2014-02-26 | Last modified: | 2018-12-21 | Release date: | 2018-12-26 | Identifier: | 2-[(4-{2-[(4-cyclohexylbutyl)(cyclohexylcarbamoyl)amino]ethyl}phenyl)sulfanyl]-2-methylpropanoic acid |
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| K0A | Name: | (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone | Formula: | C10 H14 N2 O S | SMILES: | N1(CCCC1)C(=O)c2c(sc(n2)C)C | InChi: | InChI=1S/C10H14N2OS/c1-7-9(11-8(2)14-7)10(13)12-5-3-4-6-12/h3-6H2,1-2H3 | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | (2,5-dimethyl-1,3-thiazol-4-yl)(pyrrolidin-1-yl)methanone |
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| K1A | Name: | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one | Formula: | C9 H11 N3 O2 S | SMILES: | N1(C(SC(=N1)C)=O)Cc2c(C)noc2C | InChi: | InChI=1S/C9H11N3O2S/c1-5-8(6(2)14-11-5)4-12-9(13)15-7(3)10-12/h4H2,1-3H3 | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methyl-1,3,4-thiadiazol-2(3H)-one |
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| K1Y | Name: | methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate | Formula: | C12 H12 N2 O2 S | SMILES: | n1c(C)sc(c1c2ccccc2)NC(OC)=O | InChi: | InChI=1S/C12H12N2O2S/c1-8-13-10(9-6-4-3-5-7-9)11(17-8)14-12(15)16-2/h3-7H,1-2H3,(H,14,15) | Definition date: | 2018-10-25 | Last modified: | 2018-12-14 | Release date: | 2018-12-19 | Identifier: | methyl (2-methyl-4-phenyl-1,3-thiazol-5-yl)carbamate |
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| HX5 | Name: | 4,6-dichloro-2-(methylsulfanyl)pyrimidine | Formula: | C5 H4 Cl2 N2 S | SMILES: | c1c(Cl)nc(nc1Cl)SC | InChi: | InChI=1S/C5H4Cl2N2S/c1-10-5-8-3(6)2-4(7)9-5/h2H,1H3 | Definition date: | 2018-02-06 | Last modified: | 2018-12-07 | Release date: | 2018-12-12 | Identifier: | 4,6-dichloro-2-(methylsulfanyl)pyrimidine |
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| 73L | Name: | 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione | Formula: | C23 H28 N6 O4 S2 | SMILES: | Cn1cc(CN2C(=O)N(Cc3sc(C)nc3C)c4ccc(cc4C2=O)[S](O)(O)NC5(C)CC5)cn1 | InChi: | InChI=1S/C23H28N6O4S2/c1-14-20(34-15(2)25-14)13-28-19-6-5-17(35(32,33)26-23(3)7-8-23)9-18(19)21(30)29(22(28)31)12-16-10-24-27(4)11-16/h5-6,9-11,26,32-33H,7-8,12-13H2,1-4H3 | Definition date: | 2016-08-19 | Last modified: | 2018-11-09 | Release date: | 2018-11-14 | Identifier: | 1-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-6-[[(1-methylcyclopropyl)amino]-bis(oxidanyl)-$l^{4}-sulfanyl]-3-[(1-methylpyrazol-4-yl)methyl]quinazoline-2,4-dione |
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| BQE | Name: | (~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide | Formula: | C23 H30 F2 N6 O2 S | SMILES: | CC(=O)C1=C(SC(N1)=NC(=O)[CH]2CNCCN2CCC3CCC(F)(F)CC3)c4cncc(N)c4 | InChi: | InChI=1S/C23H30F2N6O2S/c1-14(32)19-20(16-10-17(26)12-28-11-16)34-22(29-19)30-21(33)18-13-27-7-9-31(18)8-4-15-2-5-23(24,25)6-3-15/h10-12,15,18,27H,2-9,13,26H2,1H3,(H,29,30,33)/t18-/m1/s1 | Definition date: | 2017-10-12 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | (~{N}~{Z},2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-3~{H}-1,3-thiazol-2-ylidene]-1-[2-[4,4-bis(fluoranyl)cyclohexyl]ethyl]piperazine-2-carboxamide |
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| BQK | Name: | (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide | Formula: | C16 H18 N4 O4 S | SMILES: | CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cc(O)cc(O)c3 | InChi: | InChI=1S/C16H18N4O4S/c1-8(21)13-14(9-4-10(22)6-11(23)5-9)25-16(19-13)20-15(24)12-7-17-2-3-18-12/h4-6,12,17-18,22-23H,2-3,7H2,1H3,(H,19,20,24)/t12-/m1/s1 | Definition date: | 2017-10-12 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | (2~{R})-~{N}-[5-[3,5-bis(oxidanyl)phenyl]-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide |
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| BQQ | Name: | (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide | Formula: | C15 H18 N6 O2 S | SMILES: | CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cncc(N)c3 | InChi: | InChI=1S/C15H18N6O2S/c1-8(22)12-13(9-4-10(16)6-18-5-9)24-15(20-12)21-14(23)11-7-17-2-3-19-11/h4-6,11,17,19H,2-3,7,16H2,1H3,(H,20,21,23)/t11-/m0/s1 | Definition date: | 2017-10-12 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | (2~{S})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide |
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| G1E | Name: | (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide | Formula: | C15 H18 N6 O2 S | SMILES: | CC(=O)c1nc(NC(=O)[CH]2CNCCN2)sc1c3cncc(N)c3 | InChi: | InChI=1S/C15H18N6O2S/c1-8(22)12-13(9-4-10(16)6-18-5-9)24-15(20-12)21-14(23)11-7-17-2-3-19-11/h4-6,11,17,19H,2-3,7,16H2,1H3,(H,20,21,23)/t11-/m1/s1 | Definition date: | 2018-08-21 | Last modified: | 2018-10-26 | Release date: | 2018-10-31 | Identifier: | (2~{R})-~{N}-[5-(5-azanylpyridin-3-yl)-4-ethanoyl-1,3-thiazol-2-yl]piperazine-2-carboxamide |
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| D3S | Name: | (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one | Formula: | C23 H17 Cl O4 S | SMILES: | c4ccc(SC=2C(OC(c1ccccc1O)(CC=2O)c3ccccc3)=O)c(c4)Cl | InChi: | InChI=1S/C23H17ClO4S/c24-17-11-5-7-13-20(17)29-21-19(26)14-23(28-22(21)27,15-8-2-1-3-9-15)16-10-4-6-12-18(16)25/h1-13,25-26H,14H2/t23-/m0/s1 | Definition date: | 2017-10-17 | Last modified: | 2018-10-19 | Release date: | 2018-10-24 | Identifier: | (6S)-3-[(2-chlorophenyl)sulfanyl]-4-hydroxy-6-(2-hydroxyphenyl)-6-phenyl-5,6-dihydro-2H-pyran-2-one |
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