 | | NY3 | | Name: | 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate | | Formula: | C27 H30 N4 O4 | | SMILES: | CCN(CC)c1ccc2C(=C(CCOC(=O)NCc3cccc(c3)c4[nH]cnc4)C(=O)Oc2c1)C | | InChi: | InChI=1S/C27H30N4O4/c1-4-31(5-2)21-9-10-22-18(3)23(26(32)35-25(22)14-21)11-12-34-27(33)29-15-19-7-6-8-20(13-19)24-16-28-17-30-24/h6-10,13-14,16-17H,4-5,11-12,15H2,1-3H3,(H,28,30)(H,29,33) | | Definition date: | 2021-02-09 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl ~{N}-[[3-(1~{H}-imidazol-5-yl)phenyl]methyl]carbamate |
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 | | NY6 | | Name: | 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione | | Formula: | C27 H32 N6 O5 | | SMILES: | CCN(CC)c1ccc2C(=C(CCN3C(=O)NC4(CCN(CC4)C(=O)c5[nH]cnc5)C3=O)C(=O)Oc2c1)C | | InChi: | InChI=1S/C27H32N6O5/c1-4-31(5-2)18-6-7-19-17(3)20(24(35)38-22(19)14-18)8-11-33-25(36)27(30-26(33)37)9-12-32(13-10-27)23(34)21-15-28-16-29-21/h6-7,14-16H,4-5,8-13H2,1-3H3,(H,28,29)(H,30,37) | | Definition date: | 2021-02-09 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-8-(1~{H}-imidazol-5-ylcarbonyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione |
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 | | NYO | | Name: | (5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione | | Formula: | C26 H30 N6 O5 | | SMILES: | CCN(CC)c1ccc2C(=C(CCN3C(=O)N[C]4(CCN(C4)C(=O)c5c[nH]cn5)C3=O)C(=O)Oc2c1)C | | InChi: | InChI=1S/C26H30N6O5/c1-4-30(5-2)17-6-7-18-16(3)19(23(34)37-21(18)12-17)8-10-32-24(35)26(29-25(32)36)9-11-31(14-26)22(33)20-13-27-15-28-20/h6-7,12-13,15H,4-5,8-11,14H2,1-3H3,(H,27,28)(H,29,36)/t26-/m1/s1 | | Definition date: | 2021-02-09 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | (5~{R})-3-[2-[7-(diethylamino)-4-methyl-2-oxidanylidene-chromen-3-yl]ethyl]-7-(1~{H}-imidazol-4-ylcarbonyl)-1,3,7-triazaspiro[4.4]nonane-2,4-dione |
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 | | UJ7 | | Name: | (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide | | Formula: | C35 H49 N5 O3 S | | SMILES: | N2(CC(C(NCc1cccs1)=O)N(CC2)C(C(CC3CCCCC3)NC4CCCCC4)=O)C=6OC(c5ccccc5)C(C)N=6 | | InChi: | InChI=1S/C35H49N5O3S/c1-25-32(27-14-7-3-8-15-27)43-35(37-25)39-19-20-40(31(24-39)33(41)36-23-29-18-11-21-44-29)34(42)30(22-26-12-5-2-6-13-26)38-28-16-9-4-10-17-28/h3,7-8,11,14-15,18,21,25-26,28,30-32,38H,2,4-6,9-10,12-13,16-17,19-20,22-24H2,1H3,(H,36,41)/t25-,30-,31+,32-/m1/s1 | | Definition date: | 2020-05-18 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | (2S)-1-(N,3-dicyclohexyl-D-alanyl)-4-[(4R,5S)-4-methyl-5-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide |
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 | | UJA | | Name: | (2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide | | Formula: | C32 H42 Cl N5 O3 S | | SMILES: | C3N(c1oc2c(n1)cc(Cl)cc2)CCN(C3C(NCc4cccs4)=O)C(=O)C(CC5CCCCC5)NC6CCCCC6 | | InChi: | InChI=1S/C32H42ClN5O3S/c33-23-13-14-29-26(19-23)36-32(41-29)37-15-16-38(28(21-37)30(39)34-20-25-12-7-17-42-25)31(40)27(18-22-8-3-1-4-9-22)35-24-10-5-2-6-11-24/h7,12-14,17,19,22,24,27-28,35H,1-6,8-11,15-16,18,20-21H2,(H,34,39)/t27-,28+/m1/s1 | | Definition date: | 2020-05-18 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | (2S)-4-(5-chloro-1,3-benzoxazol-2-yl)-1-(N,3-dicyclohexyl-D-alanyl)-N-[(thiophen-2-yl)methyl]piperazine-2-carboxamide |
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 | | Z6P | | Name: | 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide | | Formula: | C24 H22 F2 N4 O3 | | SMILES: | O=C(NC1CC1)c1cc(cnc1N)c1ccc(NC(=O)C(O)c2cc(F)cc(F)c2)cc1C | | InChi: | InChI=1S/C24H22F2N4O3/c1-12-6-18(30-24(33)21(31)13-7-15(25)10-16(26)8-13)4-5-19(12)14-9-20(22(27)28-11-14)23(32)29-17-2-3-17/h4-11,17,21,31H,2-3H2,1H3,(H2,27,28)(H,29,32)(H,30,33)/t21-/m1/s1 | | Definition date: | 2021-04-09 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide |
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 | | VSY | | Name: | (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol | | Formula: | C16 H16 N6 O | | SMILES: | Nc3nccc(n2c1cc(C#CC(C)(O)CC)ncc1cn2)n3 | | InChi: | InChI=1S/C16H16N6O/c1-3-16(2,23)6-4-12-8-13-11(9-19-12)10-20-22(13)14-5-7-18-15(17)21-14/h5,7-10,23H,3H2,1-2H3,(H2,17,18,21)/t16-/m0/s1 | | Definition date: | 2020-09-11 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | (3S)-1-[1-(2-aminopyrimidin-4-yl)-1H-pyrazolo[4,3-c]pyridin-6-yl]-3-methylpent-1-yn-3-ol |
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 | | X9J | | Name: | 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide | | Formula: | C24 H23 F N8 O2 | | SMILES: | c2cc(CNC(=O)c1nc(no1)C(C)(C)C)c(cc2c3ccnc5c3nc(c4cn(C)nc4)n5)F | | InChi: | InChI=1S/C24H23FN8O2/c1-24(2,3)23-31-22(35-32-23)21(34)27-10-14-6-5-13(9-17(14)25)16-7-8-26-20-18(16)29-19(30-20)15-11-28-33(4)12-15/h5-9,11-12H,10H2,1-4H3,(H,27,34)(H,26,29,30) | | Definition date: | 2020-12-07 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 3-tert-butyl-N-({2-fluoro-4-[2-(1-methyl-1H-pyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]phenyl}methyl)-1,2,4-oxadiazole-5-carboxamide |
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 | | X9M | | Name: | 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide | | Formula: | C35 H35 N5 O3 | | SMILES: | c1(ccnc4c1nc(c2ccc(cc2)C(N3CCOCC3)=O)n4)c5c(C)c(ccc5)NC(=O)c6ccc(C(C)(C)C)cc6 | | InChi: | InChI=1S/C35H35N5O3/c1-22-27(6-5-7-29(22)37-33(41)24-12-14-26(15-13-24)35(2,3)4)28-16-17-36-32-30(28)38-31(39-32)23-8-10-25(11-9-23)34(42)40-18-20-43-21-19-40/h5-17H,18-21H2,1-4H3,(H,37,41)(H,36,38,39) | | Definition date: | 2020-12-07 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 4-tert-butyl-N-(2-methyl-3-{2-[4-(morpholine-4-carbonyl)phenyl]-1H-imidazo[4,5-b]pyridin-7-yl}phenyl)benzamide |
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 | | X9P | | Name: | 3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide | | Formula: | C30 H34 N8 O2 | | SMILES: | C(c1nc(no1)C(C)(C)C)(=O)NC2CCCc6c2ccc(c3ccnc4c3nc(n4)c5c(C)n(nc5)C(C)C)c6 | | InChi: | InChI=1S/C30H34N8O2/c1-16(2)38-17(3)22(15-32-38)25-34-24-21(12-13-31-26(24)35-25)19-10-11-20-18(14-19)8-7-9-23(20)33-27(39)28-36-29(37-40-28)30(4,5)6/h10-16,23H,7-9H2,1-6H3,(H,33,39)(H,31,34,35)/t23-/m0/s1 | | Definition date: | 2020-12-07 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 3-tert-butyl-N-[(1S)-6-{2-[5-methyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide |
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 | | X9S | | Name: | 3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide | | Formula: | C32 H36 N8 O3 | | SMILES: | c1(ccc2c(c1)CCCC2NC(c3nc(no3)C(C)(C)C)=O)c4ccnc5c4nc(n5)c7c(C)n(C6CCOCC6)nc7 | | InChi: | InChI=1S/C32H36N8O3/c1-18-24(17-34-40(18)21-11-14-42-15-12-21)27-36-26-23(10-13-33-28(26)37-27)20-8-9-22-19(16-20)6-5-7-25(22)35-29(41)30-38-31(39-43-30)32(2,3)4/h8-10,13,16-17,21,25H,5-7,11-12,14-15H2,1-4H3,(H,35,41)(H,33,36,37)/t25-/m1/s1 | | Definition date: | 2020-12-07 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 3-tert-butyl-N-[(1R)-6-{2-[5-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide |
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 | | X9V | | Name: | 3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide | | Formula: | C32 H36 N8 O3 | | SMILES: | C(=O)(NC1CCCc2cc(ccc12)c6ccnc5nc(c4c(nn(C3CCOCC3)c4)C)nc56)c7nc(no7)C(C)(C)C | | InChi: | InChI=1S/C32H36N8O3/c1-18-24(17-40(38-18)21-11-14-42-15-12-21)27-35-26-23(10-13-33-28(26)36-27)20-8-9-22-19(16-20)6-5-7-25(22)34-29(41)30-37-31(39-43-30)32(2,3)4/h8-10,13,16-17,21,25H,5-7,11-12,14-15H2,1-4H3,(H,34,41)(H,33,35,36)/t25-/m0/s1 | | Definition date: | 2020-12-07 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 3-tert-butyl-N-[(1S)-6-{2-[3-methyl-1-(oxan-4-yl)-1H-pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl}-1,2,3,4-tetrahydronaphthalen-1-yl]-1,2,4-oxadiazole-5-carboxamide |
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 | | X9Y | | Name: | 3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide | | Formula: | C32 H38 N8 O2 | | SMILES: | c1(ccc3c(c1)CCCCC3NC(c2nc(no2)C(C)(C)C)=O)c4c5c(ncc4)nc(n5)c6c(C)nn(c6C)C(C)C | | InChi: | InChI=1S/C32H38N8O2/c1-17(2)40-19(4)25(18(3)38-40)27-35-26-23(14-15-33-28(26)36-27)21-12-13-22-20(16-21)10-8-9-11-24(22)34-29(41)30-37-31(39-42-30)32(5,6)7/h12-17,24H,8-11H2,1-7H3,(H,34,41)(H,33,35,36)/t24-/m1/s1 | | Definition date: | 2020-12-07 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 3-tert-butyl-N-[(5R)-2-{2-[3,5-dimethyl-1-(propan-2-yl)-1H-pyrazol-4-yl]-3H-imidazo[4,5-b]pyridin-7-yl}-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl]-1,2,4-oxadiazole-5-carboxamide |
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 | | Y7V | | Name: | 1-fluoranyl-3-iodanyl-benzene | | Formula: | C6 H4 F I | | SMILES: | Fc1cccc(I)c1 | | InChi: | InChI=1S/C6H4FI/c7-5-2-1-3-6(8)4-5/h1-4H | | Definition date: | 2021-02-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 1-fluoranyl-3-iodanyl-benzene |
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 | | Y84 | | Name: | 1-fluoranylnaphthalene | | Formula: | C10 H7 F | | SMILES: | Fc1cccc2ccccc12 | | InChi: | InChI=1S/C10H7F/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H | | Definition date: | 2021-02-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 1-fluoranylnaphthalene |
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 | | Y87 | | Name: | 1-bromanyl-4-fluoranyl-benzene | | Formula: | C6 H4 Br F | | SMILES: | Fc1ccc(Br)cc1 | | InChi: | InChI=1S/C6H4BrF/c7-5-1-3-6(8)4-2-5/h1-4H | | Definition date: | 2021-02-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 1-bromanyl-4-fluoranyl-benzene |
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 | | Y8D | | Name: | 1-fluoranyl-4-iodanyl-benzene | | Formula: | C6 H4 F I | | SMILES: | Fc1ccc(I)cc1 | | InChi: | InChI=1S/C6H4FI/c7-5-1-3-6(8)4-2-5/h1-4H | | Definition date: | 2021-02-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 1-fluoranyl-4-iodanyl-benzene |
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 | | Y8G | | Name: | 2-butylthiophene | | Formula: | C8 H12 S | | SMILES: | CCCCc1sccc1 | | InChi: | InChI=1S/C8H12S/c1-2-3-5-8-6-4-7-9-8/h4,6-7H,2-3,5H2,1H3 | | Definition date: | 2021-02-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 2-butylthiophene |
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 | | WU1 | | Name: | 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine | | Formula: | C27 H31 Cl N4 O2 | | SMILES: | COc1ccc(CCc2nc3cc(ccn3c2NC4CCCCC4)c5c(C)onc5C)cc1Cl | | InChi: | InChI=1S/C27H31ClN4O2/c1-17-26(18(2)34-31-17)20-13-14-32-25(16-20)30-23(27(32)29-21-7-5-4-6-8-21)11-9-19-10-12-24(33-3)22(28)15-19/h10,12-16,21,29H,4-9,11H2,1-3H3 | | Definition date: | 2020-11-13 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 2-[2-(3-chloranyl-4-methoxy-phenyl)ethyl]-~{N}-cyclohexyl-7-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-3-amine |
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 | | XAJ | | Name: | ethyl 3-methyl-4-{[4-(trifluoromethyl)-1,3-benzoxazol-7-yl]methyl}-1H-pyrrole-2-carboxylate | | Formula: | C17 H15 F3 N2 O3 | | SMILES: | c1nc(c(C)c1Cc2c3c(c(cc2)C(F)(F)F)nco3)C(=O)OCC | | InChi: | InChI=1S/C17H15F3N2O3/c1-3-24-16(23)13-9(2)11(7-21-13)6-10-4-5-12(17(18,19)20)14-15(10)25-8-22-14/h4-5,7-8,21H,3,6H2,1-2H3 | | Definition date: | 2020-12-08 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | ethyl 3-methyl-4-{[4-(trifluoromethyl)-1,3-benzoxazol-7-yl]methyl}-1H-pyrrole-2-carboxylate |
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 | | Y8M | | Name: | 4-(3-phenylpropyl)aniline | | Formula: | C15 H17 N | | SMILES: | Nc1ccc(CCCc2ccccc2)cc1 | | InChi: | InChI=1S/C15H17N/c16-15-11-9-14(10-12-15)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8,16H2 | | Definition date: | 2021-02-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 4-(3-phenylpropyl)aniline |
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 | | YQM | | Name: | Eravacycline | | Formula: | C27 H31 F N4 O8 | | SMILES: | O=C(Nc1cc(F)c2CC3CC4C(N(C)C)C(=O)C(C(N)=O)=C(O)C4(O)C(=O)C3=C(O)c2c1O)CN1CCCC1 | | InChi: | InChI=1S/C27H31FN4O8/c1-31(2)20-13-8-11-7-12-14(28)9-15(30-16(33)10-32-5-3-4-6-32)21(34)18(12)22(35)17(11)24(37)27(13,40)25(38)19(23(20)36)26(29)39/h9,11,13,20,34-35,38,40H,3-8,10H2,1-2H3,(H2,29,39)(H,30,33)/t11-,13-,20-,27-/m0/s1 | | Definition date: | 2021-03-23 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | (4S,4aS,5aR,12aR)-4-(dimethylamino)-7-fluoro-1,10,11,12a-tetrahydroxy-3,12-dioxo-9-[2-(pyrrolidin-1-yl)acetamido]-3,4,4a,5,5a,6,12,12a-octahydrotetracene-2-carboxamide |
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 | | XBY | | Name: | 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide | | Formula: | C20 H20 F3 N3 O2 | | SMILES: | c3cc(Cc2c(c(C(NC(c1cc(C)on1)C)=O)nc2)C)ccc3C(F)(F)F | | InChi: | InChI=1S/C20H20F3N3O2/c1-11-8-17(26-28-11)13(3)25-19(27)18-12(2)15(10-24-18)9-14-4-6-16(7-5-14)20(21,22)23/h4-8,10,13,24H,9H2,1-3H3,(H,25,27)/t13-/m1/s1 | | Definition date: | 2020-12-09 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-{[4-(trifluoromethyl)phenyl]methyl}-1H-pyrrole-2-carboxamide |
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 | | XC7 | | Name: | 3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide | | Formula: | C19 H19 F3 N6 O | | SMILES: | c1nc(C(F)(F)F)ccc1C2(CC2)c3cnc(c3C)C(=O)NC(c4ncnn4)C | | InChi: | InChI=1S/C19H19F3N6O/c1-10-13(8-24-15(10)17(29)27-11(2)16-25-9-26-28-16)18(5-6-18)12-3-4-14(23-7-12)19(20,21)22/h3-4,7-9,11,24H,5-6H2,1-2H3,(H,27,29)(H,25,26,28)/t11-/m1/s1 | | Definition date: | 2020-12-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 3-methyl-N-[(1R)-1-(1H-1,2,4-triazol-3-yl)ethyl]-4-{1-[6-(trifluoromethyl)pyridin-3-yl]cyclopropyl}-1H-pyrrole-2-carboxamide |
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 | | XCD | | Name: | 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide | | Formula: | C21 H19 F3 N4 O2 | | SMILES: | Cc4cc(C(NC(c3c(c(c1c2c(nc1)cc(cc2)C(F)(F)F)cn3)C)=O)C)no4 | | InChi: | InChI=1S/C21H19F3N4O2/c1-10-6-17(28-30-10)12(3)27-20(29)19-11(2)15(8-26-19)16-9-25-18-7-13(21(22,23)24)4-5-14(16)18/h4-9,12,25-26H,1-3H3,(H,27,29)/t12-/m1/s1 | | Definition date: | 2020-12-10 | | Last modified: | 2021-05-14 | | Release date: | 2021-05-19 | | Identifier: | 3-methyl-N-[(1R)-1-(5-methyl-1,2-oxazol-3-yl)ethyl]-4-[6-(trifluoromethyl)-1H-indol-3-yl]-1H-pyrrole-2-carboxamide |
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