 | | U71 | | Name: | (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate | | Formula: | C6 H19 O27 P7 | | SMILES: | C1(C(C(OP(O)(O)=O)C(OP(O)(OP(O)(O)=O)=O)C(C1OP(O)(O)=O)OP(O)(O)=O)OP(O)(=O)O)OP(O)(O)=O | | InChi: | InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-/m0/s1 | | Definition date: | 2020-04-29 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | (1S,2R,3S,4S,5S,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
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 | | U78 | | Name: | ~{N}-[2-(2-methylphenyl)ethyl]ethanamide | | Formula: | C11 H15 N O | | SMILES: | CC(=O)NCCc1ccccc1C | | InChi: | InChI=1S/C11H15NO/c1-9-5-3-4-6-11(9)7-8-12-10(2)13/h3-6H,7-8H2,1-2H3,(H,12,13) | | Definition date: | 2021-01-26 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | ~{N}-[2-(2-methylphenyl)ethyl]ethanamide |
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 | | U82 | | Name: | 3-(4-Tert-butylphenyl)-5-(1H-pyrazol-4-yl)furo[3,2-b]pyridine | | Formula: | C20 H19 N3 O | | SMILES: | CC(C)(C)c1ccc(cc1)c2coc3ccc(nc23)c4c[nH]nc4 | | InChi: | InChI=1S/C20H19N3O/c1-20(2,3)15-6-4-13(5-7-15)16-12-24-18-9-8-17(23-19(16)18)14-10-21-22-11-14/h4-12H,1-3H3,(H,21,22) | | Synonyms: | 3-(4-~{tert}-butylphenyl)-5-(1~{H}-pyrazol-4-yl)furo[3,2-b]pyridine | | Definition date: | 2021-01-28 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 3-(4-~{tert}-butylphenyl)-5-(1~{H}-pyrazol-4-yl)furo[3,2-b]pyridine |
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 | | X3S | | Name: | 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide | | Formula: | C19 H17 Cl F N5 O3 S | | SMILES: | c1ccc(c(c1Cl)NC(Nc4cnn(c3cc(C(NC2COC2)=O)sc3C)c4)=O)F | | InChi: | InChI=1S/C19H17ClFN5O3S/c1-10-15(5-16(30-10)18(27)23-12-8-29-9-12)26-7-11(6-22-26)24-19(28)25-17-13(20)3-2-4-14(17)21/h2-7,12H,8-9H2,1H3,(H,23,27)(H2,24,25,28) | | Definition date: | 2020-11-24 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-5-methyl-N-(oxetan-3-yl)thiophene-2-carboxamide |
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 | | X3V | | Name: | 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide | | Formula: | C18 H16 Cl N5 O3 S | | SMILES: | c2c(cc(C(NC1COC1)=O)s2)n4ncc(NC(Nc3c(cccc3)Cl)=O)c4 | | InChi: | InChI=1S/C18H16ClN5O3S/c19-14-3-1-2-4-15(14)23-18(26)22-11-6-20-24(7-11)13-5-16(28-10-13)17(25)21-12-8-27-9-12/h1-7,10,12H,8-9H2,(H,21,25)(H2,22,23,26) | | Definition date: | 2020-11-24 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 4-(4-{[(2-chlorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide |
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 | | X3Y | | Name: | 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide | | Formula: | C18 H15 Cl F N5 O3 S | | SMILES: | c4(n2ncc(NC(Nc1c(F)cccc1Cl)=O)c2)cc(C(NC3COC3)=O)sc4 | | InChi: | InChI=1S/C18H15ClFN5O3S/c19-13-2-1-3-14(20)16(13)24-18(27)23-10-5-21-25(6-10)12-4-15(29-9-12)17(26)22-11-7-28-8-11/h1-6,9,11H,7-8H2,(H,22,26)(H2,23,24,27) | | Definition date: | 2020-11-24 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 4-(4-{[(2-chloro-6-fluorophenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(oxetan-3-yl)thiophene-2-carboxamide |
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 | | T1K | | Name: | 2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol | | Formula: | C15 H16 N4 O | | SMILES: | CCN(C)c1cc(nc2nccn12)c3ccccc3O | | InChi: | InChI=1S/C15H16N4O/c1-3-18(2)14-10-12(11-6-4-5-7-13(11)20)17-15-16-8-9-19(14)15/h4-10,20H,3H2,1-2H3 | | Definition date: | 2020-12-11 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 2-[5-[ethyl(methyl)amino]imidazo[1,2-a]pyrimidin-7-yl]phenol |
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 | | RTJ | | Name: | (7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one | | Formula: | C20 H19 F2 N5 O2 | | SMILES: | c4(F)c(O)c(cc(Nc1nc2c(cn1)N(CC#C)C(=O)C(C)N2CC3CC3)c4)F | | InChi: | InChI=1S/C20H19F2N5O2/c1-3-6-26-16-9-23-20(24-13-7-14(21)17(28)15(22)8-13)25-18(16)27(10-12-4-5-12)11(2)19(26)29/h1,7-9,11-12,28H,4-6,10H2,2H3,(H,23,24,25)/t11-/m1/s1 | | Definition date: | 2020-02-25 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | (7R)-8-(cyclopropylmethyl)-2-[(3,5-difluoro-4-hydroxyphenyl)amino]-7-methyl-5-(prop-2-yn-1-yl)-7,8-dihydropteridin-6(5H)-one |
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 | | RUE | | Name: | 3-[[(3-Carboxyphenyl)methyl-[2-(hydroxyamino)-2-oxoethyl]amino]methyl]benzoic acid | | Formula: | C18 H18 N2 O6 | | SMILES: | ONC(=O)CN(Cc1cccc(c1)C(O)=O)Cc2cccc(c2)C(O)=O | | InChi: | InChI=1S/C18H18N2O6/c21-16(19-26)11-20(9-12-3-1-5-14(7-12)17(22)23)10-13-4-2-6-15(8-13)18(24)25/h1-8,26H,9-11H2,(H,19,21)(H,22,23)(H,24,25) | | Synonyms: | 3-[[(3-carboxyphenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid | | Definition date: | 2020-10-20 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 3-[[(3-carboxyphenyl)methyl-[2-(oxidanylamino)-2-oxidanylidene-ethyl]amino]methyl]benzoic acid |
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 | | T3W | | Name: | 2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one | | Formula: | C12 H8 I N3 O | | SMILES: | Ic1ccc(cc1)c2cn3C(=O)N=CCc3n2 | | InChi: | InChI=1S/C12H8IN3O/c13-9-3-1-8(2-4-9)10-7-16-11(15-10)5-6-14-12(16)17/h1-4,6-7H,5H2 | | Definition date: | 2020-12-14 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 2-(4-iodophenyl)-8~{H}-imidazo[1,2-c]pyrimidin-5-one |
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 | | TJW | | Name: | 5-amino-N-(4-(((2S)-4-cyclohexyl-1-((1-(methylsulfonyl)piperidin-3-yl)amino)-1-oxobutan-2-yl)carbamoyl)benzyl)-1-phenyl-1H-pyrazole-4-carboxamide | | Formula: | C34 H45 N7 O5 S | | SMILES: | C[S](=O)(=O)N1CCC[CH](C1)NC(=O)[CH](CCC2CCCCC2)NC(=O)c3ccc(CNC(=O)c4cnn(c4N)c5ccccc5)cc3 | | InChi: | InChI=1S/C34H45N7O5S/c1-47(45,46)40-20-8-11-27(23-40)38-34(44)30(19-16-24-9-4-2-5-10-24)39-32(42)26-17-14-25(15-18-26)21-36-33(43)29-22-37-41(31(29)35)28-12-6-3-7-13-28/h3,6-7,12-15,17-18,22,24,27,30H,2,4-5,8-11,16,19-21,23,35H2,1H3,(H,36,43)(H,38,44)(H,39,42)/t27-,30-/m0/s1 | | Synonyms: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide | | Definition date: | 2020-12-23 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{S})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
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 | | TJZ | | Name: | ~{N}-[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide | | Formula: | C35 H44 N8 O4 S | | SMILES: | C[S](=O)(=O)N1CCC[CH](C1)NC(=O)[CH](CCC2CCCCC2)NC(=O)c3ccc(CNc4ncnc5n(ncc45)c6ccccc6)cc3 | | InChi: | InChI=1S/C35H44N8O4S/c1-48(46,47)42-20-8-11-28(23-42)40-35(45)31(19-16-25-9-4-2-5-10-25)41-34(44)27-17-14-26(15-18-27)21-36-32-30-22-39-43(33(30)38-24-37-32)29-12-6-3-7-13-29/h3,6-7,12-15,17-18,22,24-25,28,31H,2,4-5,8-11,16,19-21,23H2,1H3,(H,40,45)(H,41,44)(H,36,37,38)/t28-,31+/m1/s1 | | Definition date: | 2020-12-23 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | ~{N}-[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]-4-[[(1-phenylpyrazolo[3,4-d]pyrimidin-4-yl)amino]methyl]benzamide |
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 | | TK5 | | Name: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide | | Formula: | C34 H45 N7 O5 S | | SMILES: | C[S](=O)(=O)N1CCC[CH](C1)NC(=O)[CH](CCC2CCCCC2)NC(=O)c3ccc(CNC(=O)c4cnn(c4N)c5ccccc5)cc3 | | InChi: | InChI=1S/C34H45N7O5S/c1-47(45,46)40-20-8-11-27(23-40)38-34(44)30(19-16-24-9-4-2-5-10-24)39-32(42)26-17-14-25(15-18-26)21-36-33(43)29-22-37-41(31(29)35)28-12-6-3-7-13-28/h3,6-7,12-15,17-18,22,24,27,30H,2,4-5,8-11,16,19-21,23,35H2,1H3,(H,36,43)(H,38,44)(H,39,42)/t27-,30+/m1/s1 | | Definition date: | 2020-12-23 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-phenyl-pyrazole-4-carboxamide |
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 | | TKB | | Name: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide | | Formula: | C29 H43 N7 O5 S | | SMILES: | Cn1ncc(C(=O)NCc2ccc(cc2)C(=O)N[CH](CCC3CCCCC3)C(=O)N[CH]4CCCN(C4)[S](C)(=O)=O)c1N | | InChi: | InChI=1S/C29H43N7O5S/c1-35-26(30)24(18-32-35)28(38)31-17-21-10-13-22(14-11-21)27(37)34-25(15-12-20-7-4-3-5-8-20)29(39)33-23-9-6-16-36(19-23)42(2,40)41/h10-11,13-14,18,20,23,25H,3-9,12,15-17,19,30H2,1-2H3,(H,31,38)(H,33,39)(H,34,37)/t23-,25+/m1/s1 | | Definition date: | 2020-12-23 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 5-azanyl-~{N}-[[4-[[(2~{S})-4-cyclohexyl-1-[[(3~{R})-1-methylsulfonylpiperidin-3-yl]amino]-1-oxidanylidene-butan-2-yl]carbamoyl]phenyl]methyl]-1-methyl-pyrazole-4-carboxamide |
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 | | RXH | | Name: | Naproxen Methyl Ester | | Formula: | C15 H16 O3 | | SMILES: | COC(=O)[CH](C)c1ccc2cc(OC)ccc2c1 | | InChi: | InChI=1S/C15H16O3/c1-10(15(16)18-3)11-4-5-13-9-14(17-2)7-6-12(13)8-11/h4-10H,1-3H3/t10-/m0/s1 | | Synonyms: | Methyl (2S)-2-(6-methoxynaphthalen-2-yl)propanoate | | Definition date: | 2020-10-29 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | methyl (2~{S})-2-(6-methoxynaphthalen-2-yl)propanoate |
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 | | RXK | | Name: | cyclohexanecarboxylic acid | | Formula: | C7 H12 O2 | | SMILES: | OC(=O)C1CCCCC1 | | InChi: | InChI=1S/C7H12O2/c8-7(9)6-4-2-1-3-5-6/h6H,1-5H2,(H,8,9) | | Definition date: | 2020-10-30 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | cyclohexanecarboxylic acid |
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 | | PJT | | Name: | (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one | | Formula: | C20 H21 N3 O3 S | | SMILES: | Cc1sc2N=C3N(CC[C]3(O)C(=O)c2c1)c4ccc(cc4)N5CCOCC5 | | InChi: | InChI=1S/C20H21N3O3S/c1-13-12-16-17(24)20(25)6-7-23(19(20)21-18(16)27-13)15-4-2-14(3-5-15)22-8-10-26-11-9-22/h2-5,12,25H,6-11H2,1H3/t20-/m1/s1 | | Definition date: | 2020-04-23 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | (9~{S})-5-methyl-12-(4-morpholin-4-ylphenyl)-9-oxidanyl-4-thia-2,12-diazatricyclo[7.3.0.0^{3,7}]dodeca-1,3(7),5-trien-8-one |
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 | | UEV | | Name: | (1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate | | Formula: | C6 H19 O27 P7 | | SMILES: | C1(C(C(OP(=O)(O)O)C(OP(=O)(O)O)C(OP(=O)(O)OP(O)(=O)O)C1OP(=O)(O)O)OP(O)(O)=O)OP(=O)(O)O | | InChi: | InChI=1S/C6H19O27P7/c7-34(8,9)27-1-2(28-35(10,11)12)4(30-37(16,17)18)6(32-40(25,26)33-39(22,23)24)5(31-38(19,20)21)3(1)29-36(13,14)15/h1-6H,(H,25,26)(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3+,4+,5-,6+ | | Definition date: | 2020-05-13 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | (1s,2R,3S,4s,5R,6S)-2,3,4,5,6-pentakis(phosphonooxy)cyclohexyl trihydrogen diphosphate |
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 | | QU4 | | Name: | 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid) | | Formula: | C22 H14 O9 | | SMILES: | c1c(O)c(cc(c1)/C(c2ccc(c(c2)C(O)=O)O)=C3/C=CC(C(=C3)C(O)=O)=O)C(O)=O | | InChi: | InChI=1S/C22H14O9/c23-16-4-1-10(7-13(16)20(26)27)19(11-2-5-17(24)14(8-11)21(28)29)12-3-6-18(25)15(9-12)22(30)31/h1-9,23-24H,(H,26,27)(H,28,29)(H,30,31) | | Synonyms: | Aurintricarboxylic acid | | Definition date: | 2019-12-19 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 3,3'-[(3-carboxy-4-oxocyclohexa-2,5-dien-1-ylidene)methylene]bis(6-hydroxybenzoic acid) |
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 | | SU5 | | Name: | 1~{H}-indol-2-yl(pyridin-3-yl)methanone | | Formula: | C14 H10 N2 O | | SMILES: | O=C(c1[nH]c2ccccc2c1)c3cccnc3 | | InChi: | InChI=1S/C14H10N2O/c17-14(11-5-3-7-15-9-11)13-8-10-4-1-2-6-12(10)16-13/h1-9,16H | | Definition date: | 2020-12-01 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 1~{H}-indol-2-yl(pyridin-3-yl)methanone |
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 | | V8M | | Name: | N-[2-(2-hydroxy-5-nitrophenyl)ethyl]-5-[(3aS,4S,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide | | Formula: | C18 H24 N4 O5 S | | SMILES: | C(CCC(NCCc1cc(ccc1O)N(=O)=O)=O)CC3C2C(NC(N2)=O)CS3 | | InChi: | InChI=1S/C18H24N4O5S/c23-14-6-5-12(22(26)27)9-11(14)7-8-19-16(24)4-2-1-3-15-17-13(10-28-15)20-18(25)21-17/h5-6,9,13,15,17,23H,1-4,7-8,10H2,(H,19,24)(H2,20,21,25)/t13-,15+,17+/m1/s1 | | Definition date: | 2020-07-17 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | N-[2-(2-hydroxy-5-nitrophenyl)ethyl]-5-[(3aS,4S,6aS)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanamide |
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 | | S0Y | | Name: | 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid | | Formula: | C13 H10 O3 | | SMILES: | Cc1ccc2oc(C#C)c(CC(O)=O)c2c1 | | InChi: | InChI=1S/C13H10O3/c1-3-11-10(7-13(14)15)9-6-8(2)4-5-12(9)16-11/h1,4-6H,7H2,2H3,(H,14,15) | | Definition date: | 2020-03-03 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 2-(2-ethynyl-5-methyl-1-benzofuran-3-yl)ethanoic acid |
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 | | XEY | | Name: | 2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile | | Formula: | C23 H13 Cl2 N3 O | | SMILES: | c1(cc(cc(c1)C4=CC(c2ccccc2C#N)=CN(c3cccnc3)C4=O)Cl)Cl | | InChi: | InChI=1S/C23H13Cl2N3O/c24-18-8-16(9-19(25)11-18)22-10-17(21-6-2-1-4-15(21)12-26)14-28(23(22)29)20-5-3-7-27-13-20/h1-11,13-14H | | Definition date: | 2020-12-15 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 2-[3-(3,5-dichlorophenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile |
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 | | XF1 | | Name: | 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile | | Formula: | C26 H20 Cl N3 O2 | | SMILES: | C2=C(c1c(C#N)cccc1)C=C(C(=O)N2c3cccnc3)c4cc(cc(OCCC)c4)Cl | | InChi: | InChI=1S/C26H20ClN3O2/c1-2-10-32-23-12-19(11-21(27)14-23)25-13-20(24-8-4-3-6-18(24)15-28)17-30(26(25)31)22-7-5-9-29-16-22/h3-9,11-14,16-17H,2,10H2,1H3 | | Definition date: | 2020-12-15 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 2-[3-(3-chloro-5-propoxyphenyl)-2-oxo[2H-[1,3'-bipyridine]]-5-yl]benzonitrile |
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 | | XF4 | | Name: | (5S)-5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(3H,5H)-dione | | Formula: | C27 H19 Cl N4 O4 | | SMILES: | C2(N(c1cnccc1)C=C(C=C2c3cc(cc(c3)OCc4ccccc4)Cl)C=5C(=O)NC(NC=5)=O)=O | | InChi: | InChI=1S/C27H19ClN4O4/c28-20-9-18(10-22(12-20)36-16-17-5-2-1-3-6-17)23-11-19(24-14-30-27(35)31-25(24)33)15-32(26(23)34)21-7-4-8-29-13-21/h1-15H,16H2,(H2,30,31,33,35) | | Definition date: | 2020-12-15 | | Last modified: | 2021-02-26 | | Release date: | 2021-03-03 | | Identifier: | 5-{3-[3-(benzyloxy)-5-chlorophenyl]-2-oxo[2H-[1,3'-bipyridine]]-5-yl}pyrimidine-2,4(1H,3H)-dione |
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