 | | 4D0 | | Name: | N-{[3-(biphenyl-4-yl)propanoyl]carbamoyl}-beta-D-glucopyranosylamine | | Formula: | C22 H26 N2 O7 | | SMILES: | c1c(ccc(c1)CCC(=O)NC(=O)NC2OC(CO)C(O)C(C2O)O)c3ccccc3 | | InChi: | InChI=1S/C22H26N2O7/c25-12-16-18(27)19(28)20(29)21(31-16)24-22(30)23-17(26)11-8-13-6-9-15(10-7-13)14-4-2-1-3-5-14/h1-7,9-10,16,18-21,25,27-29H,8,11-12H2,(H2,23,24,26,30)/t16-,18-,19+,20-,21-/m1/s1 | | Definition date: | 2015-03-02 | | Last modified: | 2015-11-13 | | Release date: | 2015-11-18 | | Identifier: | N-{[3-(biphenyl-4-yl)propanoyl]carbamoyl}-beta-D-glucopyranosylamine |
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 | | 4D1 | | Name: | N-({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-D-glucopyranosylamine | | Formula: | C19 H26 N2 O7 | | SMILES: | c2c(C=CC(=O)NC(NC1OC(CO)C(O)C(C1O)O)=O)ccc(C(C)C)c2 | | InChi: | InChI=1S/C19H26N2O7/c1-10(2)12-6-3-11(4-7-12)5-8-14(23)20-19(27)21-18-17(26)16(25)15(24)13(9-22)28-18/h3-8,10,13,15-18,22,24-26H,9H2,1-2H3,(H2,20,21,23,27)/b8-5+/t13-,15-,16+,17-,18-/m1/s1 | | Definition date: | 2015-03-02 | | Last modified: | 2015-11-13 | | Release date: | 2015-11-18 | | Identifier: | N-({(2E)-3-[4-(propan-2-yl)phenyl]prop-2-enoyl}carbamoyl)-beta-D-glucopyranosylamine |
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 | | 4LF | | Name: | N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide | | Formula: | C13 H12 N2 O5 | | SMILES: | Oc1cccc(C(=O)NCCN2C(=O)C=CC2=O)c1O | | InChi: | InChI=1S/C13H12N2O5/c16-9-3-1-2-8(12(9)19)13(20)14-6-7-15-10(17)4-5-11(15)18/h1-5,16,19H,6-7H2,(H,14,20) | | Definition date: | 2015-08-06 | | Last modified: | 2015-11-13 | | Release date: | 2015-11-18 | | Identifier: | N-[2-[2,5-bis(oxidanylidene)pyrrol-1-yl]ethyl]-2,3-bis(oxidanyl)benzamide |
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 | | 3WH | | Name: | N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide | | Formula: | C20 H23 I N6 O | | SMILES: | O=C(NCC)N4CCC(Nc3nc(c2c1ccccc1nc2)c(I)cn3)CC4 | | InChi: | InChI=1S/C20H23IN6O/c1-2-22-20(28)27-9-7-13(8-10-27)25-19-24-12-16(21)18(26-19)15-11-23-17-6-4-3-5-14(15)17/h3-6,11-13,23H,2,7-10H2,1H3,(H,22,28)(H,24,25,26) | | Definition date: | 2014-11-26 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | N-ethyl-4-{[4-(1H-indol-3-yl)-5-iodopyrimidin-2-yl]amino}piperidine-1-carboxamide |
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 | | 3X0 | | Name: | (4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine | | Formula: | C18 H17 Cl N4 | | SMILES: | Clc4ccc(N3c1c(cccc1)n2c(nnc2C(C3)C)C)cc4 | | InChi: | InChI=1S/C18H17ClN4/c1-12-11-22(15-9-7-14(19)8-10-15)16-5-3-4-6-17(16)23-13(2)20-21-18(12)23/h3-10,12H,11H2,1-2H3/t12-/m1/s1 | | Definition date: | 2014-12-02 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | (4R)-6-(4-chlorophenyl)-1,4-dimethyl-5,6-dihydro-4H-[1,2,4]triazolo[4,3-a][1,5]benzodiazepine |
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 | | 3X4 | | Name: | N~6~-{N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methyl-D-alanyl}-D-lysine | | Formula: | C20 H26 N4 O6 | | SMILES: | C(C(NCCCCC(C(O)=O)N)=O)(NC(=O)CN2C(=O)c1ccccc1C2=O)(C)C | | InChi: | InChI=1S/C20H26N4O6/c1-20(2,19(30)22-10-6-5-9-14(21)18(28)29)23-15(25)11-24-16(26)12-7-3-4-8-13(12)17(24)27/h3-4,7-8,14H,5-6,9-11,21H2,1-2H3,(H,22,30)(H,23,25)(H,28,29)/t14-/m1/s1 | | Definition date: | 2014-12-02 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | N~6~-{N-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetyl]-2-methyl-D-alanyl}-D-lysine |
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 | | 41R | | Name: | N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide | | Formula: | C16 H25 F N2 O4 S | | SMILES: | Fc1c(cc(cc1)S(=O)(=O)N(C(C(=O)NO)C(C)C)CC(C)C)C | | InChi: | InChI=1S/C16H25FN2O4S/c1-10(2)9-19(15(11(3)4)16(20)18-21)24(22,23)13-6-7-14(17)12(5)8-13/h6-8,10-11,15,21H,9H2,1-5H3,(H,18,20)/t15-/m1/s1 | | Definition date: | 2015-01-16 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide |
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 | | 41S | | Name: | N~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide | | Formula: | C16 H25 F N2 O5 S | | SMILES: | Fc1c(OC)cc(cc1)S(=O)(=O)N(C(C(=O)NO)C(C)C)CC(C)C | | InChi: | InChI=1S/C16H25FN2O5S/c1-10(2)9-19(15(11(3)4)16(20)18-21)25(22,23)12-6-7-13(17)14(8-12)24-5/h6-8,10-11,15,21H,9H2,1-5H3,(H,18,20)/t15-/m1/s1 | | Definition date: | 2015-01-16 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | N~2~-[(4-fluoro-3-methoxyphenyl)sulfonyl]-N-hydroxy-N~2~-(2-methylpropyl)-D-valinamide |
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 | | 41T | | Name: | N-hydroxy-N~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-N~2~-(2-methylpropyl)-D-valinamide | | Formula: | C17 H28 N2 O5 S | | SMILES: | O=S(=O)(N(C(C(=O)NO)C(C)C)CC(C)C)c1cc(ccc1)COC | | InChi: | InChI=1S/C17H28N2O5S/c1-12(2)10-19(16(13(3)4)17(20)18-21)25(22,23)15-8-6-7-14(9-15)11-24-5/h6-9,12-13,16,21H,10-11H2,1-5H3,(H,18,20)/t16-/m1/s1 | | Definition date: | 2015-01-16 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | N-hydroxy-N~2~-{[3-(methoxymethyl)phenyl]sulfonyl}-N~2~-(2-methylpropyl)-D-valinamide |
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 | | 56P | | Name: | N~2~-(6-aminohexyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide | | Formula: | C16 H26 F N3 O4 S | | SMILES: | C(C(NO)=O)(N(CCCCCCN)S(c1ccc(c(c1)C)F)(=O)=O)C | | InChi: | InChI=1S/C16H26FN3O4S/c1-12-11-14(7-8-15(12)17)25(23,24)20(13(2)16(21)19-22)10-6-4-3-5-9-18/h7-8,11,13,22H,3-6,9-10,18H2,1-2H3,(H,19,21)/t13-/m1/s1 | | Definition date: | 2015-08-05 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | N~2~-(6-aminohexyl)-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide |
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 | | 56Q | | Name: | N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide | | Formula: | C11 H15 F N2 O4 S | | SMILES: | C(C(NO)=O)(N(C)S(c1ccc(c(c1)C)F)(=O)=O)C | | InChi: | InChI=1S/C11H15FN2O4S/c1-7-6-9(4-5-10(7)12)19(17,18)14(3)8(2)11(15)13-16/h4-6,8,16H,1-3H3,(H,13,15)/t8-/m1/s1 | | Definition date: | 2015-08-05 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-N~2~-methyl-D-alaninamide |
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 | | 56R | | Name: | N~2~-[3-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide | | Formula: | C18 H22 F N3 O4 S | | SMILES: | C(N(Cc1cccc(CN)c1)S(c2ccc(c(c2)C)F)(=O)=O)(C(=O)NO)C | | InChi: | InChI=1S/C18H22FN3O4S/c1-12-8-16(6-7-17(12)19)27(25,26)22(13(2)18(23)21-24)11-15-5-3-4-14(9-15)10-20/h3-9,13,24H,10-11,20H2,1-2H3,(H,21,23)/t13-/m1/s1 | | Definition date: | 2015-08-05 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | N~2~-[3-(aminomethyl)benzyl]-N~2~-[(4-fluoro-3-methylphenyl)sulfonyl]-N-hydroxy-D-alaninamide |
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 | | 57X | | Name: | 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one | | Formula: | C17 H15 N5 O S | | SMILES: | C=1C(N(c2c(C=1)c(nn2)c4sc(c3cccnc3)nc4)CCC)=O | | InChi: | InChI=1S/C17H15N5OS/c1-2-8-22-14(23)6-5-12-15(20-21-16(12)22)13-10-19-17(24-13)11-4-3-7-18-9-11/h3-7,9-10H,2,8H2,1H3,(H,20,21) | | Definition date: | 2015-08-14 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | 7-propyl-3-[2-(pyridin-3-yl)-1,3-thiazol-5-yl]-1,7-dihydro-6H-pyrazolo[3,4-b]pyridin-6-one |
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 | | 59E | | Name: | methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate | | Formula: | C23 H21 N5 O3 | | SMILES: | COC(CC3c1n(c(nn1)C)c2ccc(OC)cc2C(=N3)c4cccc5c4ccn5)=O | | InChi: | InChI=1S/C23H21N5O3/c1-13-26-27-23-19(12-21(29)31-3)25-22(16-5-4-6-18-15(16)9-10-24-18)17-11-14(30-2)7-8-20(17)28(13)23/h4-11,19,24H,12H2,1-3H3/t19-/m0/s1 | | Definition date: | 2015-08-27 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | methyl [(4S)-6-(1H-indol-4-yl)-8-methoxy-1-methyl-4H-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]acetate |
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 | | 5H7 | | Name: | N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide | | Formula: | C24 H23 F3 N4 O | | SMILES: | C4(C)CC(N)CC(c3c(NC(c1nc(c(cc1)F)c2c(cccc2F)F)=O)cncc3)C4 | | InChi: | InChI=1S/C24H23F3N4O/c1-13-9-14(11-15(28)10-13)16-7-8-29-12-21(16)31-24(32)20-6-5-19(27)23(30-20)22-17(25)3-2-4-18(22)26/h2-8,12-15H,9-11,28H2,1H3,(H,31,32)/t13-,14+,15-/m0/s1 | | Definition date: | 2015-09-24 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | N-{4-[(1R,3S,5S)-3-amino-5-methylcyclohexyl]pyridin-3-yl}-6-(2,6-difluorophenyl)-5-fluoropyridine-2-carboxamide |
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 | | 51X | | Name: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid | | Formula: | C10 H7 N O4 | | SMILES: | C(=O)(CN2C(=O)c1ccccc1C2=O)O | | InChi: | InChI=1S/C10H7NO4/c12-8(13)5-11-9(14)6-3-1-2-4-7(6)10(11)15/h1-4H,5H2,(H,12,13) | | Definition date: | 2015-07-14 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | (1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)acetic acid |
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 | | 3RV | | Name: | 5-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid | | Formula: | C21 H13 F N2 O3 S | | SMILES: | O=C(O)c1cc(F)ccc1NC2=NC(=O)C(S2)=Cc4c3ccccc3ccc4 | | InChi: | InChI=1S/C21H13FN2O3S/c22-14-8-9-17(16(11-14)20(26)27)23-21-24-19(25)18(28-21)10-13-6-3-5-12-4-1-2-7-15(12)13/h1-11H,(H,26,27)(H,23,24,25)/b18-10- | | Definition date: | 2014-10-15 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | 5-fluoro-2-{[(5Z)-5-(naphthalen-1-ylmethylidene)-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid |
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 | | 3RY | | Name: | 2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4H-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid | | Formula: | C21 H16 N2 O3 S | | SMILES: | O=C(O)c1ccccc1NC2=NC(=O)C(=S2)Cc3cccc4c3cccc4 | | InChi: | InChI=1S/C21H16N2O3S/c24-19-18(12-14-8-5-7-13-6-1-2-9-15(13)14)27-21(23-19)22-17-11-4-3-10-16(17)20(25)26/h1-11,27H,12H2,(H,25,26)(H,22,23,24) | | Definition date: | 2014-10-15 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | 2-{[5-(naphthalen-1-ylmethyl)-4-oxo-4H-1lambda~4~,3-thiazol-2-yl]amino}benzoic acid |
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 | | 3UK | | Name: | 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine | | Formula: | C17 H19 N6 O8 P | | SMILES: | O=P(OC(=O)c1ccccc1N)(O)OCC4OC(n3cnc2c(ncnc23)N)C(O)C4O | | InChi: | InChI=1S/C17H19N6O8P/c18-9-4-2-1-3-8(9)17(26)31-32(27,28)29-5-10-12(24)13(25)16(30-10)23-7-22-11-14(19)20-6-21-15(11)23/h1-4,6-7,10,12-13,16,24-25H,5,18H2,(H,27,28)(H2,19,20,21)/t10-,12-,13-,16-/m1/s1 | | Definition date: | 2014-11-04 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | 5'-O-[(S)-[(2-aminobenzoyl)oxy](hydroxy)phosphoryl]adenosine |
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 | | S8A | | Name: | (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid | | Formula: | C9 H7 N O5 S | | SMILES: | O=C2c1ccccc1S(=O)(N2CC(O)=O)=O | | InChi: | InChI=1S/C9H7NO5S/c11-8(12)5-10-9(13)6-3-1-2-4-7(6)16(10,14)15/h1-4H,5H2,(H,11,12) | | Definition date: | 2015-07-16 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | (1,1-dioxido-3-oxo-1,2-benzothiazol-2(3H)-yl)acetic acid |
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 | | FC9 | | Name: | 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid | | Formula: | C30 H22 N6 O7 S2 | | SMILES: | O=S(=O)(N)c1ccc(cc1)n2nnc(c2)CNC(=S)Nc6ccc(C=3c5c(OC=4C=3C=CC(=O)C=4)cc(O)cc5)c(C(=O)O)c6 | | InChi: | InChI=1S/C30H22N6O7S2/c31-45(41,42)21-6-2-18(3-7-21)36-15-17(34-35-36)14-32-30(44)33-16-1-8-22(25(11-16)29(39)40)28-23-9-4-19(37)12-26(23)43-27-13-20(38)5-10-24(27)28/h1-13,15,37H,14H2,(H,39,40)(H2,31,41,42)(H2,32,33,44) | | Definition date: | 2014-10-03 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | 2-(6-hydroxy-3-oxo-3H-xanthen-9-yl)-5-[({[1-(4-sulfamoylphenyl)-1H-1,2,3-triazol-4-yl]methyl}carbamothioyl)amino]benzoic acid |
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 | | 4GZ | | Name: | 6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide | | Formula: | C23 H30 N4 O2 | | SMILES: | c1cc(cc(c1)C(NCCC2(CCCCC2)CNc3ccc(cn3)C(N)=O)=O)C | | InChi: | InChI=1S/C23H30N4O2/c1-17-6-5-7-18(14-17)22(29)25-13-12-23(10-3-2-4-11-23)16-27-20-9-8-19(15-26-20)21(24)28/h5-9,14-15H,2-4,10-13,16H2,1H3,(H2,24,28)(H,25,29)(H,26,27) | | Definition date: | 2015-03-18 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | 6-{[(1-{2-[(3-methylbenzoyl)amino]ethyl}cyclohexyl)methyl]amino}pyridine-3-carboxamide |
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 | | 4K7 | | Name: | (5R)-2-(3,4-dichlorobenzyl)-N-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide | | Formula: | C24 H29 Cl2 N3 O | | SMILES: | c1cc(ccc1C)CNC(=O)N4CCCC2(CCN(C2)Cc3ccc(c(c3)Cl)Cl)C4 | | InChi: | InChI=1S/C24H29Cl2N3O/c1-18-3-5-19(6-4-18)14-27-23(30)29-11-2-9-24(17-29)10-12-28(16-24)15-20-7-8-21(25)22(26)13-20/h3-8,13H,2,9-12,14-17H2,1H3,(H,27,30)/t24-/m1/s1 | | Definition date: | 2015-03-26 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | (5R)-2-(3,4-dichlorobenzyl)-N-(4-methylbenzyl)-2,7-diazaspiro[4.5]decane-7-carboxamide |
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 | | 4LK | | Name: | 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one | | Formula: | C23 H18 F N5 O4 | | SMILES: | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc(cc4F)N5CCOC5=O | | InChi: | InChI=1S/C23H18FN5O4/c1-32-20-14-28(18-8-7-16(13-17(18)24)27-11-12-33-23(27)31)26-21(22(20)30)19-9-10-25-29(19)15-5-3-2-4-6-15/h2-10,13-14H,11-12H2,1H3 | | Definition date: | 2015-08-07 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | 3-[3-fluoranyl-4-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]phenyl]-1,3-oxazolidin-2-one |
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 | | 4LP | | Name: | 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one | | Formula: | C28 H26 F N5 O3 | | SMILES: | COC1=CN(N=C(C1=O)c2ccnn2c3ccccc3)c4ccc5N(CC6CC6)C(=O)C(C)(C)c5c4F | | InChi: | InChI=1S/C28H26FN5O3/c1-28(2)23-19(32(27(28)36)15-17-9-10-17)11-12-20(24(23)29)33-16-22(37-3)26(35)25(31-33)21-13-14-30-34(21)18-7-5-4-6-8-18/h4-8,11-14,16-17H,9-10,15H2,1-3H3 | | Definition date: | 2015-08-07 | | Last modified: | 2015-11-06 | | Release date: | 2015-11-11 | | Identifier: | 1-(cyclopropylmethyl)-4-fluoranyl-5-[5-methoxy-4-oxidanylidene-3-(2-phenylpyrazol-3-yl)pyridazin-1-yl]-3,3-dimethyl-indol-2-one |
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