 | | JFO | | Name: | (10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amine | | Formula: | C17 H14 Cl N5 O | | SMILES: | Clc1ccccc1c1nc(C)c2c(N)nc3ccc(OC)nc3n21 | | InChi: | InChI=1S/C17H14ClN5O/c1-9-14-15(19)21-12-7-8-13(24-2)22-17(12)23(14)16(20-9)10-5-3-4-6-11(10)18/h3-8H,1-2H3,(H2,19,21) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (10R)-9-(2-chlorophenyl)-2-methoxy-7-methylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-amine |
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 | | JG9 | | Name: | (4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine | | Formula: | C22 H24 N4 | | SMILES: | Cn1cc(nc1CCc1ccc2nc(C)c(C)n2c1C)c1ccccc1 | | InChi: | InChI=1S/C22H24N4/c1-15-16(2)26-17(3)18(11-13-22(26)23-15)10-12-21-24-20(14-25(21)4)19-8-6-5-7-9-19/h5-9,11,13-14H,10,12H2,1-4H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4R)-2,3,5-trimethyl-6-[2-(1-methyl-4-phenyl-1H-imidazol-2-yl)ethyl]imidazo[1,2-a]pyridine |
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 | | JI8 | | Name: | ~{N}4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2-methyl-~{N}3-(2-phenyl-3~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-3,4-dicarboxamide | | Formula: | C22 H23 N8 O3 | | SMILES: | CN1NCC(=C1C(=O)Nc2cc[n]3CC(=Nc3n2)c4ccccc4)C(=O)NCC5=NCCO5 | | InChi: | InChI=1S/C22H23N8O3/c1-29-19(15(11-25-29)20(31)24-12-18-23-8-10-33-18)21(32)27-17-7-9-30-13-16(26-22(30)28-17)14-5-3-2-4-6-14/h2-7,9,25H,8,10-13H2,1H3,(H,24,31)(H,27,28,32) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | ~{N}4-(4,5-dihydro-1,3-oxazol-2-ylmethyl)-2-methyl-~{N}3-(2-phenyl-3~{H}-imidazo[1,2-a]pyrimidin-7-yl)-1,5-dihydropyrazole-3,4-dicarboxamide |
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 | | JIC | | Name: | N~4~-cyclopropyl-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide | | Formula: | C22 H20 N6 O2 | | SMILES: | O=C(NC1CC1)c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1 | | InChi: | InChI=1S/C22H20N6O2/c1-27-20(17(12-23-27)21(29)24-15-7-8-15)22(30)25-16-9-10-28-13-18(26-19(28)11-16)14-5-3-2-4-6-14/h2-6,9-13,15H,7-8H2,1H3,(H,24,29)(H,25,30) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N~4~-cyclopropyl-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-4,5-dicarboxamide |
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 | | JJ6 | | Name: | [(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol | | Formula: | C13 H11 N3 O | | SMILES: | OCc1ccn2nc(nc2c1)c1ccccc1 | | InChi: | InChI=1S/C13H11N3O/c17-9-10-6-7-16-12(8-10)14-13(15-16)11-4-2-1-3-5-11/h1-8,17H,9H2 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | [(4S)-2-phenyl[1,2,4]triazolo[1,5-a]pyridin-7-yl]methanol |
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 | | JKO | | Name: | 1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide | | Formula: | C23 H22 N6 O3 | | SMILES: | O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1)c1ccccc1)N1CCOCC1 | | InChi: | InChI=1S/C23H22N6O3/c1-27-21(18(14-24-27)23(31)28-9-11-32-12-10-28)22(30)25-17-7-8-29-15-19(26-20(29)13-17)16-5-3-2-4-6-16/h2-8,13-15H,9-12H2,1H3,(H,25,30) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 1-methyl-4-(morpholine-4-carbonyl)-N-[(4R)-2-phenylimidazo[1,2-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide |
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 | | JLI | | Name: | 1-methyl-5-{[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]carbamoyl}-1H-pyrazole-4-carboxylic acid | | Formula: | C18 H14 N6 O3 | | SMILES: | OC(=O)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1 | | InChi: | InChI=1S/C18H14N6O3/c1-23-15(12(9-19-23)17(26)27)16(25)21-14-7-8-24-10-13(20-18(24)22-14)11-5-3-2-4-6-11/h2-10H,1H3,(H,26,27)(H,20,21,22,25) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 1-methyl-5-{[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]carbamoyl}-1H-pyrazole-4-carboxylic acid |
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 | | JM0 | | Name: | N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide | | Formula: | C15 H19 N5 O3 S | | SMILES: | CS(=O)(=O)Nc1nc2ccc(OC)nc2n2c1c(C)nc2CCC | | InChi: | InChI=1S/C15H19N5O3S/c1-5-6-11-16-9(2)13-14(19-24(4,21)22)17-10-7-8-12(23-3)18-15(10)20(11)13/h7-8H,5-6H2,1-4H3,(H,17,19) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N-[(10S)-2-methoxy-7-methyl-9-propylimidazo[1,5-a]pyrido[3,2-e]pyrazin-6-yl]methanesulfonamide |
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 | | JME | | Name: | 4-(azetidine-1-carbonyl)-N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-1H-pyrazole-5-carboxamide | | Formula: | C23 H19 N7 O2 | | SMILES: | O=C(c1cnn(C)c1C(=O)Nc1cc2nc(cn2cc1C#N)c1ccccc1)N1CCC1 | | InChi: | InChI=1S/C23H19N7O2/c1-28-21(17(12-25-28)23(32)29-8-5-9-29)22(31)27-18-10-20-26-19(15-6-3-2-4-7-15)14-30(20)13-16(18)11-24/h2-4,6-7,10,12-14H,5,8-9H2,1H3,(H,27,31) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 4-(azetidine-1-carbonyl)-N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-1H-pyrazole-5-carboxamide |
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 | | JMU | | Name: | N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-3-carboxamide | | Formula: | C24 H21 N7 O3 | | SMILES: | O=C(c1cn(C)nc1C(=O)Nc1cc2nc(cn2cc1C#N)c1ccccc1)N1CCOCC1 | | InChi: | InChI=1S/C24H21N7O3/c1-29-14-18(24(33)30-7-9-34-10-8-30)22(28-29)23(32)27-19-11-21-26-20(16-5-3-2-4-6-16)15-31(21)13-17(19)12-25/h2-6,11,13-15H,7-10H2,1H3,(H,27,32) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N-[(4R)-6-cyano-2-phenylimidazo[1,2-a]pyridin-7-yl]-1-methyl-4-(morpholine-4-carbonyl)-1H-pyrazole-3-carboxamide |
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 | | JN6 | | Name: | N~4~-(2-hydroxyethyl)-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide | | Formula: | C20 H19 N7 O3 | | SMILES: | O=C(NCCO)c1cnn(C)c1C(=O)Nc1ccn2cc(nc2n1)c1ccccc1 | | InChi: | InChI=1S/C20H19N7O3/c1-26-17(14(11-22-26)18(29)21-8-10-28)19(30)24-16-7-9-27-12-15(23-20(27)25-16)13-5-3-2-4-6-13/h2-7,9,11-12,28H,8,10H2,1H3,(H,21,29)(H,23,24,25,30) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N~4~-(2-hydroxyethyl)-1-methyl-N~5~-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-4,5-dicarboxamide |
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 | | JO6 | | Name: | (4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine | | Formula: | C16 H11 Cl3 N4 S | | SMILES: | Clc1cc(Cl)c(C)n2nc(nc12)CCc1nc2cc(Cl)ccc2s1 | | InChi: | InChI=1S/C16H11Cl3N4S/c1-8-10(18)7-11(19)16-21-14(22-23(8)16)4-5-15-20-12-6-9(17)2-3-13(12)24-15/h2-3,6-7H,4-5H2,1H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4S)-6,8-dichloro-2-[2-(5-chloro-1,3-benzothiazol-2-yl)ethyl]-5-methyl[1,2,4]triazolo[1,5-a]pyridine |
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 | | E4C | | Name: | (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one | | Formula: | C22 H30 N6 O | | SMILES: | CC(C)(C)c1ccc(cc1)CNc1nc2N=C(CC(=O)n2n1)CN1CCCCC1 | | InChi: | InChI=1S/C22H30N6O/c1-22(2,3)17-9-7-16(8-10-17)14-23-20-25-21-24-18(13-19(29)28(21)26-20)15-27-11-5-4-6-12-27/h7-10H,4-6,11-15H2,1-3H3,(H,23,26) | | Definition date: | 2021-12-02 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | (8S)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(piperidin-1-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(6H)-one |
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 | | E5B | | Name: | (8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one | | Formula: | C21 H28 N6 O2 | | SMILES: | CC(C)(C)c1ccc(cc1)CNc1nc2NC(CN3CCOCC3)=CC(=O)n2n1 | | InChi: | InChI=1S/C21H28N6O2/c1-21(2,3)16-6-4-15(5-7-16)13-22-19-24-20-23-17(12-18(28)27(20)25-19)14-26-8-10-29-11-9-26/h4-7,12H,8-11,13-14H2,1-3H3,(H2,22,23,24,25) | | Definition date: | 2021-12-02 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | (8R)-2-{[(4-tert-butylphenyl)methyl]amino}-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one |
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 | | E66 | | Name: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine | | Formula: | C23 H33 N7 O | | SMILES: | CC(C)(C)c1ccc(cc1)CNc1nc2nc(CN3CCOCC3)cc(N(C)C)n2n1 | | InChi: | InChI=1S/C23H33N7O/c1-23(2,3)18-8-6-17(7-9-18)15-24-21-26-22-25-19(16-29-10-12-31-13-11-29)14-20(28(4)5)30(22)27-21/h6-9,14H,10-13,15-16H2,1-5H3,(H,24,27) | | Definition date: | 2021-12-02 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | (8S)-N~2~-[(4-tert-butylphenyl)methyl]-N~7~,N~7~-dimethyl-5-[(morpholin-4-yl)methyl][1,2,4]triazolo[1,5-a]pyrimidine-2,7-diamine |
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 | | JYO | | Name: | (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol | | Formula: | C22 H20 F3 N3 O2 | | SMILES: | NCC[CH]1CN=C(O)c2cc(c3cccc(OC(F)(F)F)c3)c(n12)c4ccccc4 | | InChi: | InChI=1S/C22H20F3N3O2/c23-22(24,25)30-17-8-4-7-15(11-17)18-12-19-21(29)27-13-16(9-10-26)28(19)20(18)14-5-2-1-3-6-14/h1-8,11-12,16H,9-10,13,26H2,(H,27,29)/t16-/m0/s1 | | Definition date: | 2022-05-16 | | Last modified: | 2022-09-30 | | Release date: | 2022-10-05 | | Identifier: | (4~{S})-4-(2-azanylethyl)-6-phenyl-7-[3-(trifluoromethyloxy)phenyl]-3,4-dihydropyrrolo[1,2-a]pyrazin-1-ol |
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 | | 7LD | | Name: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide | | Formula: | C20 H25 N3 O | | SMILES: | n1c4cccc2c4c(c1)CC3N(CC(C=C23)C(N(CC)CC)=O)C | | InChi: | InChI=1S/C20H25N3O/c1-4-23(5-2)20(24)14-9-16-15-7-6-8-17-19(15)13(11-21-17)10-18(16)22(3)12-14/h6-9,11,14,18,21H,4-5,10,12H2,1-3H3/t14-,18-/m1/s1 | | Synonyms: | Lysergic acid diethylamide | | Definition date: | 2016-11-10 | | Last modified: | 2022-09-27 | | Release date: | 2017-02-01 | | Identifier: | (8alpha)-N,N-diethyl-6-methyl-9,10-didehydroergoline-8-carboxamide |
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 | | JQX | | Name: | [(7R,9aR)-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone | | Formula: | C22 H24 Br Cl N2 O2 | | SMILES: | COc1cccc(c1Br)C(=O)N2CCN3C[CH](CC[CH]3C2)c4ccc(Cl)cc4 | | InChi: | InChI=1S/C22H24BrClN2O2/c1-28-20-4-2-3-19(21(20)23)22(27)26-12-11-25-13-16(7-10-18(25)14-26)15-5-8-17(24)9-6-15/h2-6,8-9,16,18H,7,10-14H2,1H3/t16-,18+/m0/s1 | | Definition date: | 2022-05-07 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | [(7~{R},9~{a}~{R})-7-(4-chlorophenyl)-1,3,4,6,7,8,9,9~{a}-octahydropyrido[1,2-a]pyrazin-2-yl]-(2-bromanyl-3-methoxy-phenyl)methanone |
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 | | 7RQ | | Name: | N-[6-[[9-(dimethylamino)-12H-benzo[a]phenoxazin-5-yl]amino]hexyl]-4-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-[oxidanyl(oxidanylidene)-$l^4-azanyl]benzamide | | Formula: | C38 H39 N5 O7 | | SMILES: | CN(C)c1ccc2Nc3c(Oc2c1)cc(NCCCCCCNC(=O)c4ccc(C(=O)C5=C(O)CCCC5=O)c(c4)[N+]([O-])=O)c6ccccc36 | | InChi: | InChI=1S/C38H39N5O7/c1-42(2)24-15-17-28-33(21-24)50-34-22-29(25-10-5-6-11-26(25)36(34)41-28)39-18-7-3-4-8-19-40-38(47)23-14-16-27(30(20-23)43(48)49)37(46)35-31(44)12-9-13-32(35)45/h5-6,10-11,14-17,20-22,39,41,44H,3-4,7-9,12-13,18-19H2,1-2H3,(H,40,47) | | Definition date: | 2021-10-15 | | Last modified: | 2022-09-16 | | Release date: | 2022-09-21 | | Identifier: | ~{N}-[6-[[9-(dimethylamino)-12~{H}-benzo[a]phenoxazin-5-yl]amino]hexyl]-3-nitro-4-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-benzamide |
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 | | IF8 | | Name: | 4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one | | Formula: | C24 H25 Br N4 O | | SMILES: | Brc1cccc2N3C(=NC(=O)c12)N(C4CCCC4)c5cc(ccc35)C6CCNCC6 | | InChi: | InChI=1S/C24H25BrN4O/c25-18-6-3-7-20-22(18)23(30)27-24-28(17-4-1-2-5-17)21-14-16(8-9-19(21)29(20)24)15-10-12-26-13-11-15/h3,6-9,14-15,17,26H,1-2,4-5,10-13H2 | | Definition date: | 2022-03-16 | | Last modified: | 2022-09-09 | | Release date: | 2022-09-14 | | Identifier: | 4-bromanyl-7-cyclopentyl-9-piperidin-4-yl-benzimidazolo[1,2-a]quinazolin-5-one |
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 | | IFF | | Name: | (2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C53 H62 Br F N8 O5 S | | SMILES: | Cc1ncsc1c2ccc(cc2)[CH](CCCN3CCC(CC3)c4ccc5N6c7cccc(Br)c7C(=O)N=C6N(C8CCCC8)c5c4)NC(=O)[CH]9C[CH](O)CN9C(=O)[CH](NC(=O)C%10(F)CC%10)C(C)(C)C | | InChi: | InChI=1S/C53H62BrFN8O5S/c1-31-45(69-30-56-31)34-16-14-33(15-17-34)39(57-47(65)43-28-37(64)29-61(43)49(67)46(52(2,3)4)58-50(68)53(55)22-23-53)12-8-24-60-25-20-32(21-26-60)35-18-19-40-42(27-35)62(36-9-5-6-10-36)51-59-48(66)44-38(54)11-7-13-41(44)63(40)51/h7,11,13-19,27,30,32,36-37,39,43,46,64H,5-6,8-10,12,20-26,28-29H2,1-4H3,(H,57,65)(H,58,68)/t37-,39+,43+,46-/m1/s1 | | Definition date: | 2022-03-16 | | Last modified: | 2022-09-09 | | Release date: | 2022-09-14 | | Identifier: | (2~{S},4~{R})-~{N}-[(1~{S})-4-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]butyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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 | | IFJ | | Name: | (2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C56 H70 Br N9 O6 S | | SMILES: | C[CH](CN1CCC(CC1)c2ccc3N4c5cccc(Br)c5C(=O)N=C4N(C6CCCC6)c3c2)OC[CH](NC(=O)[CH]7C[CH](O)CN7C(=O)[CH](NC(=O)C8(CC8)N(C)C)C(C)(C)C)c9ccc(cc9)c%10scnc%10C | | InChi: | InChI=1S/C56H70BrN9O6S/c1-33(29-63-25-21-35(22-26-63)38-19-20-43-45(27-38)65(39-11-8-9-12-39)54-61-51(69)47-41(57)13-10-14-44(47)66(43)54)72-31-42(36-15-17-37(18-16-36)48-34(2)58-32-73-48)59-50(68)46-28-40(67)30-64(46)52(70)49(55(3,4)5)60-53(71)56(23-24-56)62(6)7/h10,13-20,27,32-33,35,39-40,42,46,49,67H,8-9,11-12,21-26,28-31H2,1-7H3,(H,59,68)(H,60,71)/t33-,40-,42+,46+,49-/m1/s1 | | Definition date: | 2022-03-16 | | Last modified: | 2022-09-09 | | Release date: | 2022-09-14 | | Identifier: | (2~{S},4~{R})-~{N}-[(1~{R})-2-[(2~{R})-1-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propan-2-yl]oxy-1-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]ethyl]-1-[(2~{S})-2-[[1-(dimethylamino)cyclopropyl]carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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 | | M4X | | Name: | 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide | | Formula: | C10 H8 N4 O | | SMILES: | CNC(=O)c1cnn2ccc(cc12)C#N | | InChi: | InChI=1S/C10H8N4O/c1-12-10(15)8-6-13-14-3-2-7(5-11)4-9(8)14/h2-4,6H,1H3,(H,12,15) | | Definition date: | 2022-07-22 | | Last modified: | 2022-09-09 | | Release date: | 2022-09-14 | | Identifier: | 5-cyano-~{N}-methyl-pyrazolo[1,5-a]pyridine-3-carboxamide |
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 | | 7UO | | Name: | ~{N}-[(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidine-6-carboxamide | | Formula: | C21 H25 N6 O3 | | SMILES: | CCN1Cc2cc(CNC(=O)c3cnc4CC(=O)N[n+]4c3C)ccc2NCCC1=O | | InChi: | InChI=1S/C21H24N6O3/c1-3-26-12-15-8-14(4-5-17(15)22-7-6-20(26)29)10-24-21(30)16-11-23-18-9-19(28)25-27(18)13(16)2/h4-5,8,11,22H,3,6-7,9-10,12H2,1-2H3,(H-,24,25,28,30)/p+1 | | Definition date: | 2021-09-03 | | Last modified: | 2022-09-09 | | Release date: | 2022-09-14 | | Identifier: | ~{N}-[(5-ethyl-4-oxidanylidene-1,2,3,6-tetrahydro-1,5-benzodiazocin-8-yl)methyl]-7-methyl-2-oxidanylidene-1,3-dihydropyrazolo[1,5-a]pyrimidin-8-ium-6-carboxamide |
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 | | IEI | | Name: | (2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide | | Formula: | C53 H62 Br F N8 O6 S | | SMILES: | Cc1ncsc1c2ccc(CNC(=O)[CH]3C[CH](O)CN3C(=O)[CH](NC(=O)C4(F)CC4)C(C)(C)C)c(OCCCN5CCC(CC5)c6ccc7N8c9cccc(Br)c9C(=O)N=C8N(C%10CCCC%10)c7c6)c2 | | InChi: | InChI=1S/C53H62BrFN8O6S/c1-31-45(70-30-57-31)34-13-14-35(28-56-47(65)42-27-37(64)29-61(42)49(67)46(52(2,3)4)58-50(68)53(55)19-20-53)43(26-34)69-24-8-21-60-22-17-32(18-23-60)33-15-16-39-41(25-33)62(36-9-5-6-10-36)51-59-48(66)44-38(54)11-7-12-40(44)63(39)51/h7,11-16,25-26,30,32,36-37,42,46,64H,5-6,8-10,17-24,27-29H2,1-4H3,(H,56,65)(H,58,68)/t37-,42+,46-/m1/s1 | | Synonyms: | (2S,4R)-N-(2-(3-(4-(4-bromo-7-cyclopentyl-5-oxo-5,7-dihydrobenzo[4,5]imidazo[1,2-a]quinazolin-9- yl)piperidin-1-yl)propoxy)-4-(4-methylthiazol-5-yl)benzyl)-1-((S)-2-(1-fluorocyclopropane-1- carboxamido)-3,3-dimethylbutanoyl)-4-hydroxypyrrolidine-2-carboxamide | | Definition date: | 2022-03-14 | | Last modified: | 2022-09-02 | | Release date: | 2022-09-07 | | Identifier: | (2~{S},4~{R})-~{N}-[[2-[3-[4-(4-bromanyl-7-cyclopentyl-5-oxidanylidene-benzimidazolo[1,2-a]quinazolin-9-yl)piperidin-1-yl]propoxy]-4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-1-[(2~{S})-2-[(1-fluoranylcyclopropyl)carbonylamino]-3,3-dimethyl-butanoyl]-4-oxidanyl-pyrrolidine-2-carboxamide |
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