 | | 80V | | Name: | 4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid | | Formula: | C23 H22 F N O6 S | | SMILES: | FS(=O)(=O)Oc1ccc(cc1)C#Cc1ccc2c(c1)C(C)(C)CCN2C(=O)CCC(=O)O | | InChi: | InChI=1S/C23H22FNO6S/c1-23(2)13-14-25(21(26)11-12-22(27)28)20-10-7-17(15-19(20)23)4-3-16-5-8-18(9-6-16)31-32(24,29)30/h5-10,15H,11-14H2,1-2H3,(H,27,28) | | Definition date: | 2021-08-25 | | Last modified: | 2021-12-10 | | Release date: | 2021-12-15 | | Identifier: | 4-[6-({4-[(fluorosulfonyl)oxy]phenyl}ethynyl)-4,4-dimethyl-3,4-dihydroquinolin-1(2H)-yl]-4-oxobutanoic acid |
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 | | VGW | | Name: | 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile | | Formula: | C26 H24 Cl N7 O | | SMILES: | CN1C(=O)C=C(NC(C)(C)c2ncc(cn2)C3CC3)c4cc(Nc5ccnc(Cl)c5C#N)ccc14 | | InChi: | InChI=1S/C26H24ClN7O/c1-26(2,25-30-13-16(14-31-25)15-4-5-15)33-21-11-23(35)34(3)22-7-6-17(10-18(21)22)32-20-8-9-29-24(27)19(20)12-28/h6-11,13-15,33H,4-5H2,1-3H3,(H,29,32) | | Definition date: | 2021-05-18 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 2-chloranyl-4-[[4-[2-(5-cyclopropylpyrimidin-2-yl)propan-2-ylamino]-1-methyl-2-oxidanylidene-quinolin-6-yl]amino]pyridine-3-carbonitrile |
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 | | VH5 | | Name: | 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile | | Formula: | C20 H19 Cl N6 O | | SMILES: | CN1CCN(CC1)C2=CC(=O)Nc3ccc(Nc4ccnc(Cl)c4C#N)cc23 | | InChi: | InChI=1S/C20H19ClN6O/c1-26-6-8-27(9-7-26)18-11-19(28)25-16-3-2-13(10-14(16)18)24-17-4-5-23-20(21)15(17)12-22/h2-5,10-11H,6-9H2,1H3,(H,23,24)(H,25,28) | | Definition date: | 2021-05-18 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 2-chloranyl-4-[[4-(4-methylpiperazin-1-yl)-2-oxidanylidene-1~{H}-quinolin-6-yl]amino]pyridine-3-carbonitrile |
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 | | VH8 | | Name: | 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-ethanamide | | Formula: | C18 H15 Cl N6 O2 | | SMILES: | CNC(=O)CNC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12 | | InChi: | InChI=1S/C18H15ClN6O2/c1-21-17(27)9-23-15-7-16(26)25-13-3-2-10(6-11(13)15)24-14-4-5-22-18(19)12(14)8-20/h2-7H,9H2,1H3,(H,21,27)(H,22,24)(H2,23,25,26) | | Synonyms: | 2-[[6-[(2-chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylacetamide | | Definition date: | 2021-05-18 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-ethanamide |
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 | | VHB | | Name: | 2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile | | Formula: | C19 H13 Cl N6 O | | SMILES: | Cn1cc(cn1)C2=CC(=O)Nc3ccc(Nc4ccnc(Cl)c4C#N)cc23 | | InChi: | InChI=1S/C19H13ClN6O/c1-26-10-11(9-23-26)13-7-18(27)25-16-3-2-12(6-14(13)16)24-17-4-5-22-19(20)15(17)8-21/h2-7,9-10H,1H3,(H,22,24)(H,25,27) | | Definition date: | 2021-05-18 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 2-chloranyl-4-[[4-(1-methylpyrazol-4-yl)-2-oxidanylidene-1~{H}-quinolin-6-yl]amino]pyridine-3-carbonitrile |
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 | | VHK | | Name: | 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1H-quinolin-6-yl]amino]pyridine-3-carbonitrile | | Formula: | C17 H14 Cl N5 O | | SMILES: | CCNC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12 | | InChi: | InChI=1S/C17H14ClN5O/c1-2-20-15-8-16(24)23-13-4-3-10(7-11(13)15)22-14-5-6-21-17(18)12(14)9-19/h3-8H,2H2,1H3,(H,21,22)(H2,20,23,24) | | Definition date: | 2021-05-18 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 2-chloranyl-4-[[4-(ethylamino)-2-oxidanylidene-1~{H}-quinolin-6-yl]amino]pyridine-3-carbonitrile |
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 | | VHN | | Name: | (2S)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide | | Formula: | C19 H17 Cl N6 O2 | | SMILES: | CNC(=O)[CH](C)NC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12 | | InChi: | InChI=1S/C19H17ClN6O2/c1-10(19(28)22-2)24-16-8-17(27)26-14-4-3-11(7-12(14)16)25-15-5-6-23-18(20)13(15)9-21/h3-8,10H,1-2H3,(H,22,28)(H,23,25)(H2,24,26,27)/t10-/m0/s1 | | Synonyms: | (2S)-2-[[6-[(2-Chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylpropanamide | | Definition date: | 2021-05-18 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (2~{S})-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-propanamide |
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 | | VHQ | | Name: | 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile | | Formula: | C16 H11 Cl N4 O | | SMILES: | CN1C(=O)C=Cc2cc(Nc3ccnc(Cl)c3C#N)ccc12 | | InChi: | InChI=1S/C16H11ClN4O/c1-21-14-4-3-11(8-10(14)2-5-15(21)22)20-13-6-7-19-16(17)12(13)9-18/h2-8H,1H3,(H,19,20) | | Definition date: | 2021-05-18 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 2-chloranyl-4-[(1-methyl-2-oxidanylidene-quinolin-6-yl)amino]pyridine-3-carbonitrile |
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 | | VHZ | | Name: | (2R)-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1H-quinolin-4-yl]amino]-N-methyl-propanamide | | Formula: | C19 H17 Cl N6 O2 | | SMILES: | CNC(=O)[CH](C)NC1=CC(=O)Nc2ccc(Nc3ccnc(Cl)c3C#N)cc12 | | InChi: | InChI=1S/C19H17ClN6O2/c1-10(19(28)22-2)24-16-8-17(27)26-14-4-3-11(7-12(14)16)25-15-5-6-23-18(20)13(15)9-21/h3-8,10H,1-2H3,(H,22,28)(H,23,25)(H2,24,26,27)/t10-/m1/s1 | | Synonyms: | (2R)-2-[[6-[(2-Chloro-3-cyanopyridin-4-yl)amino]-2-oxo-1H-quinolin-4-yl]amino]-N-methylpropanamide | | Definition date: | 2021-05-18 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | (2~{R})-2-[[6-[(2-chloranyl-3-cyano-pyridin-4-yl)amino]-2-oxidanylidene-1~{H}-quinolin-4-yl]amino]-~{N}-methyl-propanamide |
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 | | VJ2 | | Name: | 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile | | Formula: | C23 H20 Cl N7 O | | SMILES: | CN1C(=O)C=C(NC(C)(C)c2ncccn2)c3cc(Nc4ccnc(Cl)c4C#N)ccc13 | | InChi: | InChI=1S/C23H20ClN7O/c1-23(2,22-27-8-4-9-28-22)30-18-12-20(32)31(3)19-6-5-14(11-15(18)19)29-17-7-10-26-21(24)16(17)13-25/h4-12,30H,1-3H3,(H,26,29) | | Synonyms: | 2-Chloro-4-[[1-methyl-2-oxo-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile | | Definition date: | 2021-05-18 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-(2-pyrimidin-2-ylpropan-2-ylamino)quinolin-6-yl]amino]pyridine-3-carbonitrile |
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 | | VJ5 | | Name: | 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile | | Formula: | C22 H18 Cl N7 O | | SMILES: | C[CH](NC1=CC(=O)N(C)c2ccc(Nc3ccnc(Cl)c3C#N)cc12)c4ncccn4 | | InChi: | InChI=1S/C22H18ClN7O/c1-13(22-26-7-3-8-27-22)28-18-11-20(31)30(2)19-5-4-14(10-15(18)19)29-17-6-9-25-21(23)16(17)12-24/h3-11,13,28H,1-2H3,(H,25,29)/t13-/m1/s1 | | Synonyms: | 2-Chloro-4-[[1-methyl-2-oxo-4-[[(1R)-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile | | Definition date: | 2021-05-18 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 2-chloranyl-4-[[1-methyl-2-oxidanylidene-4-[[(1~{R})-1-pyrimidin-2-ylethyl]amino]quinolin-6-yl]amino]pyridine-3-carbonitrile |
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 | | VJN | | Name: | 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one | | Formula: | C14 H13 N O2 S | | SMILES: | CC(C)Oc1ccc2C(=O)Nc3sccc3c2c1 | | InChi: | InChI=1S/C14H13NO2S/c1-8(2)17-9-3-4-10-12(7-9)11-5-6-18-14(11)15-13(10)16/h3-8H,1-2H3,(H,15,16) | | Definition date: | 2021-05-20 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 8-propan-2-yloxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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 | | 1O7 | | Name: | 8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one | | Formula: | C13 H11 N O2 S | | SMILES: | CCOc1ccc2C(=O)Nc3sccc3c2c1 | | InChi: | InChI=1S/C13H11NO2S/c1-2-16-8-3-4-9-11(7-8)10-5-6-17-13(10)14-12(9)15/h3-7H,2H2,1H3,(H,14,15) | | Definition date: | 2021-06-14 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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 | | 1OI | | Name: | 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one | | Formula: | C12 H9 N O2 S | | SMILES: | COc1ccc2C(=O)Nc3sccc3c2c1 | | InChi: | InChI=1S/C12H9NO2S/c1-15-7-2-3-8-10(6-7)9-4-5-16-12(9)13-11(8)14/h2-6H,1H3,(H,13,14) | | Definition date: | 2021-06-14 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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 | | 1H9 | | Name: | 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one | | Formula: | C18 H12 Br N O2 S | | SMILES: | Brc1cccc(COc2ccc3C(=O)Nc4sccc4c3c2)c1 | | InChi: | InChI=1S/C18H12BrNO2S/c19-12-3-1-2-11(8-12)10-22-13-4-5-14-16(9-13)15-6-7-23-18(15)20-17(14)21/h1-9H,10H2,(H,20,21) | | Definition date: | 2021-06-10 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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 | | 0SI | | Name: | 8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one | | Formula: | C18 H13 N O2 S | | SMILES: | O=C1Nc2sccc2c3cc(OCc4ccccc4)ccc13 | | InChi: | InChI=1S/C18H13NO2S/c20-17-14-7-6-13(21-11-12-4-2-1-3-5-12)10-16(14)15-8-9-22-18(15)19-17/h1-10H,11H2,(H,19,20) | | Definition date: | 2021-06-09 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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 | | 0UI | | Name: | 8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one | | Formula: | C11 H7 N O2 S | | SMILES: | Oc1ccc2C(=O)Nc3sccc3c2c1 | | InChi: | InChI=1S/C11H7NO2S/c13-6-1-2-7-9(5-6)8-3-4-15-11(8)12-10(7)14/h1-5,13H,(H,12,14) | | Definition date: | 2021-06-09 | | Last modified: | 2021-12-03 | | Release date: | 2021-12-08 | | Identifier: | 8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one |
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 | | 92W | | Name: | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one | | Formula: | C18 H24 N4 O3 S | | SMILES: | O=S(=O)(c1cccc2cncc(C)c21)N1CCCN(CC1C)C(=O)CN | | InChi: | InChI=1S/C18H24N4O3S/c1-13-10-20-11-15-5-3-6-16(18(13)15)26(24,25)22-8-4-7-21(12-14(22)2)17(23)9-19/h3,5-6,10-11,14H,4,7-9,12,19H2,1-2H3/t14-/m0/s1 | | Definition date: | 2021-10-04 | | Last modified: | 2021-11-26 | | Release date: | 2021-12-01 | | Identifier: | 2-amino-1-[(3S)-3-methyl-4-(4-methylisoquinoline-5-sulfonyl)-1,4-diazepan-1-yl]ethan-1-one |
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 | | 93I | | Name: | 7-methyl-2-morpholin-4-yl-9-[(1~{R})-1-phenylazanylethyl]-3~{H}-pyrido[1,2-a]pyrimidin-4-one | | Formula: | C21 H24 N4 O2 | | SMILES: | CC(Nc1ccccc1)C1=CC(C)=CN2C1=NC(=CC2=O)N1CCOCC1 | | InChi: | InChI=1S/C21H24N4O2/c1-15-12-18(16(2)22-17-6-4-3-5-7-17)21-23-19(13-20(26)25(21)14-15)24-8-10-27-11-9-24/h3-7,12-14,16,22H,8-11H2,1-2H3/t16-/m1/s1 | | Definition date: | 2021-10-04 | | Last modified: | 2021-11-26 | | Release date: | 2021-12-01 | | Identifier: | (5R)-9-[(1R)-1-anilinoethyl]-7-methyl-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one |
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 | | 53D | | Name: | 1-cyclopropyl-N-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide | | Formula: | C24 H34 F N5 O2 | | SMILES: | CCN1CCN(CC1)c2cc3N(C=C(C(=O)NCCCN(C)C)C(=O)c3cc2F)C4CC4 | | InChi: | InChI=1S/C24H34FN5O2/c1-4-28-10-12-29(13-11-28)22-15-21-18(14-20(22)25)23(31)19(16-30(21)17-6-7-17)24(32)26-8-5-9-27(2)3/h14-17H,4-13H2,1-3H3,(H,26,32) | | Definition date: | 2021-08-19 | | Last modified: | 2021-11-26 | | Release date: | 2021-12-01 | | Identifier: | 1-cyclopropyl-~{N}-[3-(dimethylamino)propyl]-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxamide |
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 | | H8O | | Name: | (S)-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2S)-piperidin-2-yl]methanol | | Formula: | C17 H16 F6 N2 O | | SMILES: | O[CH]([CH]1CCCCN1)c2cc(nc3c2cccc3C(F)(F)F)C(F)(F)F | | InChi: | InChI=1S/C17H16F6N2O/c18-16(19,20)11-5-3-4-9-10(15(26)12-6-1-2-7-24-12)8-13(17(21,22)23)25-14(9)11/h3-5,8,12,15,24,26H,1-2,6-7H2/t12-,15-/m0/s1 | | Definition date: | 2020-11-27 | | Last modified: | 2021-11-26 | | Release date: | 2021-12-01 | | Identifier: | (~{S})-[2,8-bis(trifluoromethyl)quinolin-4-yl]-[(2~{S})-piperidin-2-yl]methanol |
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 | | S95 | | Name: | isoquinoline-5-sulfonic acid | | Formula: | C9 H7 N O3 S | | SMILES: | O[S](=O)(=O)c1cccc2cnccc12 | | InChi: | InChI=1S/C9H7NO3S/c11-14(12,13)9-3-1-2-7-6-10-5-4-8(7)9/h1-6H,(H,11,12,13) | | Definition date: | 2020-11-12 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | isoquinoline-5-sulfonic acid |
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 | | S9B | | Name: | isoquinoline-5-carboxylic acid | | Formula: | C10 H7 N O2 | | SMILES: | OC(=O)c1cccc2cnccc12 | | InChi: | InChI=1S/C10H7NO2/c12-10(13)9-3-1-2-7-6-11-5-4-8(7)9/h1-6H,(H,12,13) | | Definition date: | 2020-11-12 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | isoquinoline-5-carboxylic acid |
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 | | 7IK | | Name: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one | | Formula: | C14 H22 N4 O2 | | SMILES: | CC(C)C1CNC(=O)c2cc(nn21)N1CCOCC1C | | InChi: | InChI=1S/C14H22N4O2/c1-9(2)12-7-15-14(19)11-6-13(16-18(11)12)17-4-5-20-8-10(17)3/h6,9-10,12H,4-5,7-8H2,1-3H3,(H,15,19)/t10-,12+/m1/s1 | | Definition date: | 2021-08-12 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (7R,8R)-2-[(3R)-3-methylmorpholin-4-yl]-7-(propan-2-yl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one |
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 | | 7IQ | | Name: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one | | Formula: | C14 H20 N4 O2 | | SMILES: | O=C1NC2CCCC2n2nc(cc21)N1CCOCC1C | | InChi: | InChI=1S/C14H20N4O2/c1-9-8-20-6-5-17(9)13-7-12-14(19)15-10-3-2-4-11(10)18(12)16-13/h7,9-11H,2-6,8H2,1H3,(H,15,19)/t9-,10+,11-/m1/s1 | | Definition date: | 2021-08-12 | | Last modified: | 2021-11-19 | | Release date: | 2021-11-24 | | Identifier: | (5aS,8aR,9S)-2-[(3R)-3-methylmorpholin-4-yl]-5,5a,6,7,8,8a-hexahydro-4H-cyclopenta[e]pyrazolo[1,5-a]pyrazin-4-one |
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