 | | ZEG | | Name: | 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine | | Formula: | C19 H17 F N2 O3 S2 | | SMILES: | O=S(=O)(N1CCOCC1)c1ccc(cc1)c1csc(n1)c1ccc(F)cc1 | | InChi: | InChI=1S/C19H17FN2O3S2/c20-16-5-1-15(2-6-16)19-21-18(13-26-19)14-3-7-17(8-4-14)27(23,24)22-9-11-25-12-10-22/h1-8,13H,9-12H2 | | Definition date: | 2021-04-15 | | Last modified: | 2022-04-15 | | Release date: | 2022-04-20 | | Identifier: | 4-{4-[2-(4-fluorophenyl)-1,3-thiazol-4-yl]benzene-1-sulfonyl}morpholine |
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 | | VLE | | Name: | 1-[(6aS)-3-chloro-2-(5-methyl-1H-indazol-4-yl)-5,6,6a,7,9,10-hexahydro-8H-pyrazino[1',2':5,6][1,5]oxazocino[4,3,2-de]quinazolin-8-yl]-2-propen-1-one | | Formula: | C25 H25 Cl N6 O2 | | SMILES: | CCC(=O)N1CCN2[CH](CCOc3c(Cl)c(cc4ncnc2c34)c5c(C)ccc6n[nH]cc56)C1 | | InChi: | InChI=1S/C25H25ClN6O2/c1-3-20(33)31-7-8-32-15(12-31)6-9-34-24-22-19(27-13-28-25(22)32)10-16(23(24)26)21-14(2)4-5-18-17(21)11-29-30-18/h4-5,10-11,13,15H,3,6-9,12H2,1-2H3,(H,29,30)/t15-/m0/s1 | | Definition date: | 2021-05-27 | | Last modified: | 2022-04-15 | | Release date: | 2022-04-20 |
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 | | J59 | | Name: | Brimonidine | | Formula: | C11 H10 Br N5 | | SMILES: | Brc1c(NC2=NCCN2)ccc3nccnc13 | | InChi: | InChI=1S/C11H10BrN5/c12-9-7(17-11-15-5-6-16-11)1-2-8-10(9)14-4-3-13-8/h1-4H,5-6H2,(H2,15,16,17) | | Definition date: | 2021-04-09 | | Last modified: | 2022-04-08 | | Release date: | 2022-04-13 | | Identifier: | 5-bromanyl-~{N}-(4,5-dihydro-1~{H}-imidazol-2-yl)quinoxalin-6-amine |
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 | | J5C | | Name: | Oxymetazoline | | Formula: | C16 H24 N2 O | | SMILES: | Cc1cc(c(O)c(C)c1CC2=NCCN2)C(C)(C)C | | InChi: | InChI=1S/C16H24N2O/c1-10-8-13(16(3,4)5)15(19)11(2)12(10)9-14-17-6-7-18-14/h8,19H,6-7,9H2,1-5H3,(H,17,18) | | Definition date: | 2021-04-09 | | Last modified: | 2022-04-08 | | Release date: | 2022-04-13 | | Identifier: | 6-~{tert}-butyl-3-(4,5-dihydro-1~{H}-imidazol-2-ylmethyl)-2,4-dimethyl-phenol |
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 | | V0E | | Name: | 2-[4-[(2S)-3-(6-chloro-4-oxoquinazolin-3-yl)-2-hydroxypropoxy]phenyl]acetonitrile | | Formula: | C19 H16 Cl N3 O3 | | SMILES: | O[CH](COc1ccc(CC#N)cc1)CN2C=Nc3ccc(Cl)cc3C2=O | | InChi: | InChI=1S/C19H16ClN3O3/c20-14-3-6-18-17(9-14)19(25)23(12-22-18)10-15(24)11-26-16-4-1-13(2-5-16)7-8-21/h1-6,9,12,15,24H,7,10-11H2/t15-/m0/s1 | | Synonyms: | 2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile | | Definition date: | 2021-03-31 | | Last modified: | 2022-04-08 | | Release date: | 2022-04-13 | | Identifier: | 2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenyl]ethanenitrile |
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 | | V0H | | Name: | 2-[4-[(2S)-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile | | Formula: | C19 H16 Cl N3 O4 | | SMILES: | O[CH](COc1ccc(OCC#N)cc1)CN2C=Nc3ccc(Cl)cc3C2=O | | InChi: | InChI=1S/C19H16ClN3O4/c20-13-1-6-18-17(9-13)19(25)23(12-22-18)10-14(24)11-27-16-4-2-15(3-5-16)26-8-7-21/h1-6,9,12,14,24H,8,10-11H2/t14-/m0/s1 | | Synonyms: | 2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile | | Definition date: | 2021-03-31 | | Last modified: | 2022-04-08 | | Release date: | 2022-04-13 | | Identifier: | 2-[4-[(2~{S})-3-(6-chloranyl-4-oxidanylidene-quinazolin-3-yl)-2-oxidanyl-propoxy]phenoxy]ethanenitrile |
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 | | 41Y | | Name: | 2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol | | Formula: | C32 H41 F N2 O2 | | SMILES: | CC(C)c1ccc(cc1)C(C)N1CCc2c(ccc(OC)c2c2cc(F)c(O)c(NCC(C)C)c2)C1C | | InChi: | InChI=1S/C32H41FN2O2/c1-19(2)18-34-29-17-25(16-28(33)32(29)36)31-27-14-15-35(22(6)26(27)12-13-30(31)37-7)21(5)24-10-8-23(9-11-24)20(3)4/h8-13,16-17,19-22,34,36H,14-15,18H2,1-7H3/t21-,22+/m0/s1 | | Definition date: | 2021-07-07 | | Last modified: | 2022-04-08 | | Release date: | 2022-04-13 | | Identifier: | 2-fluoro-4-[(1R)-6-methoxy-1-methyl-2-{(1S)-1-[4-(propan-2-yl)phenyl]ethyl}-1,2,3,4-tetrahydroisoquinolin-5-yl]-6-[(2-methylpropyl)amino]phenol |
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 | | 9XR | | Name: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) | | Formula: | C22 H29 N7 O14 P2 | | SMILES: | NC(=O)c1cc(ccc1)NC1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O | | InChi: | InChI=1S/C22H29N7O14P2/c23-18-13-20(26-7-25-18)29(8-27-13)22-17(33)15(31)12(42-22)6-40-45(37,38)43-44(35,36)39-5-11-14(30)16(32)21(41-11)28-10-3-1-2-9(4-10)19(24)34/h1-4,7-8,11-12,14-17,21-22,28,30-33H,5-6H2,(H2,24,34)(H,35,36)(H,37,38)(H2,23,25,26)/t11-,12-,14-,15-,16-,17-,21+,22-/m1/s1 | | Definition date: | 2021-11-01 | | Last modified: | 2022-04-08 | | Release date: | 2022-04-13 | | Identifier: | [(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methyl [(2R,3S,4R,5S)-5-(3-carbamoylanilino)-3,4-dihydroxyoxolan-2-yl]methyl dihydrogen diphosphate (non-preferred name) |
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 | | 5IW | | Name: | (2S)-4-methyl-N-[(2S)-1-oxidanylidene-3-[(3S)-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2S)-3-phenyl-2-[[(E)-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide | | Formula: | C32 H40 N4 O5 | | SMILES: | CC(C)C[CH](NC(=O)[CH](Cc1ccccc1)NC(=O)C=Cc2ccccc2)C(=O)N[CH](C[CH]3CCCNC3=O)C=O | | InChi: | InChI=1S/C32H40N4O5/c1-22(2)18-27(31(40)34-26(21-37)20-25-14-9-17-33-30(25)39)36-32(41)28(19-24-12-7-4-8-13-24)35-29(38)16-15-23-10-5-3-6-11-23/h3-8,10-13,15-16,21-22,25-28H,9,14,17-20H2,1-2H3,(H,33,39)(H,34,40)(H,35,38)(H,36,41)/t25-,26-,27-,28-/m0/s1 | | Definition date: | 2022-02-02 | | Last modified: | 2022-04-08 | | Release date: | 2022-04-13 | | Identifier: | (2~{S})-4-methyl-~{N}-[(2~{S})-1-oxidanylidene-3-[(3~{S})-2-oxidanylidenepiperidin-3-yl]propan-2-yl]-2-[[(2~{S})-3-phenyl-2-[[(~{E})-3-phenylprop-2-enoyl]amino]propanoyl]amino]pentanamide |
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 | | 05J | | Name: | 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one | | Formula: | C29 H34 N8 O2 | | SMILES: | CN1CCN(CC1)c1ccc(cc1)Nc1ncc2C(=O)N(CC=C)N(c2n1)c1ccc2CCC(O)(CC)c2n1 | | InChi: | InChI=1S/C29H34N8O2/c1-4-14-36-27(38)23-19-30-28(31-21-7-9-22(10-8-21)35-17-15-34(3)16-18-35)33-26(23)37(36)24-11-6-20-12-13-29(39,5-2)25(20)32-24/h4,6-11,19,39H,1,5,12-18H2,2-3H3,(H,30,31,33)/t29-/m1/s1 | | Definition date: | 2021-06-02 | | Last modified: | 2022-04-07 | | Release date: | 2021-09-01 | | Identifier: | 1-[(7R)-7-ethyl-7-hydroxy-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl]-6-[4-(4-methylpiperazin-1-yl)anilino]-2-(prop-2-en-1-yl)-1,2-dihydro-3H-pyrazolo[3,4-d]pyrimidin-3-one |
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 | | 0K8 | | Name: | Ruthenium bis-(phenanthroline) 12,17-dihydro-naphthodipyridophenazine-12,17-dione | | Formula: | C50 H28 N8 O2 Ru | | SMILES: | [Ru++].O=C1c2ccccc2C(=O)c3c1ccc4nc5c6cccnc6c7ncccc7c5nc34.c8cnc9c(c8)ccc%10cccnc9%10.c%11cnc%12c(c%11)ccc%13cccnc%12%13 | | InChi: | InChI=1S/C26H12N4O2.2C12H8N2.Ru/c31-25-13-5-1-2-6-14(13)26(32)19-15(25)9-10-18-24(19)30-23-17-8-4-12-28-21(17)20-16(22(23)29-18)7-3-11-27-20 | | Synonyms: | Ruthenium polypridyl complex | | Definition date: | 2021-06-07 | | Last modified: | 2022-04-01 | | Release date: | 2022-04-06 |
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 | | J9O | | Name: | 2-[(1S)-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one | | Formula: | C30 H31 Cl N4 O4 | | SMILES: | CCOc1ccccc1N2C(=O)c3ccccc3N=C2[CH](C)N4CCN(CC4)C(=O)COc5ccc(Cl)cc5 | | InChi: | InChI=1S/C30H31ClN4O4/c1-3-38-27-11-7-6-10-26(27)35-29(32-25-9-5-4-8-24(25)30(35)37)21(2)33-16-18-34(19-17-33)28(36)20-39-23-14-12-22(31)13-15-23/h4-15,21H,3,16-20H2,1-2H3/t21-/m0/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-04-01 | | Release date: | 2022-04-06 | | Identifier: | 2-[(1~{S})-1-[4-[2-(4-chloranylphenoxy)ethanoyl]piperazin-1-yl]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one |
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 | | 2Q7 | | Name: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide | | Formula: | C27 H35 F2 N11 O4 | | SMILES: | C=CC(=O)N1CCC(CC1)C(=O)NCC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1 | | InChi: | InChI=1S/C27H35F2N11O4/c1-2-19(41)37-5-3-17(4-6-37)24(43)31-16-20(42)38-7-9-39(10-8-38)26-34-23(18-15-32-25(30)33-21(18)22(28)29)35-27(36-26)40-11-13-44-14-12-40/h2,15,17,22H,1,3-14,16H2,(H,31,43)(H2,30,32,33) | | Definition date: | 2021-06-30 | | Last modified: | 2022-04-01 | | Release date: | 2022-04-06 | | Identifier: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-1-(prop-2-enoyl)piperidine-4-carboxamide |
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 | | 2IX | | Name: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide | | Formula: | C28 H37 F2 N11 O4 | | SMILES: | C=CC(=O)N1CCC(CC1)C(=O)N(C)CC(=O)N1CCN(CC1)c1nc(nc(n1)c1cnc(N)nc1C(F)F)N1CCOCC1 | | InChi: | InChI=1S/C28H37F2N11O4/c1-3-20(42)38-6-4-18(5-7-38)25(44)37(2)17-21(43)39-8-10-40(11-9-39)27-34-24(19-16-32-26(31)33-22(19)23(29)30)35-28(36-27)41-12-14-45-15-13-41/h3,16,18,23H,1,4-15,17H2,2H3,(H2,31,32,33) | | Definition date: | 2021-06-30 | | Last modified: | 2022-04-01 | | Release date: | 2022-04-06 | | Identifier: | N-[2-(4-{4-[2-amino-4-(difluoromethyl)pyrimidin-5-yl]-6-(morpholin-4-yl)-1,3,5-triazin-2-yl}piperazin-1-yl)-2-oxoethyl]-N-methyl-1-(prop-2-enoyl)piperidine-4-carboxamide |
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 | | GE7 | | Name: | (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid | | Formula: | C23 H25 N O3 | | SMILES: | O=C(O)C(OC(C)(C)C)c1c(c2ccccc2nc1C)c1ccc(C)cc1 | | InChi: | InChI=1S/C23H25NO3/c1-14-10-12-16(13-11-14)20-17-8-6-7-9-18(17)24-15(2)19(20)21(22(25)26)27-23(3,4)5/h6-13,21H,1-5H3,(H,25,26)/t21-/m0/s1 | | Definition date: | 2021-12-20 | | Last modified: | 2022-04-01 | | Release date: | 2022-04-06 | | Identifier: | (2S)-tert-butoxy[2-methyl-4-(4-methylphenyl)quinolin-3-yl]acetic acid |
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 | | J4O | | Name: | 1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1H-benzimidazol-2-yl)-1H-pyrrol-3-yl]ethanone | | Formula: | C20 H24 N4 O2 | | SMILES: | CCc1c([nH]c(C)c1C(C)=O)c2[nH]c3cc(ccc3n2)N4CCOCC4 | | InChi: | InChI=1S/C20H24N4O2/c1-4-15-18(13(3)25)12(2)21-19(15)20-22-16-6-5-14(11-17(16)23-20)24-7-9-26-10-8-24/h5-6,11,21H,4,7-10H2,1-3H3,(H,22,23) | | Definition date: | 2021-04-06 | | Last modified: | 2022-03-25 | | Release date: | 2022-03-30 | | Identifier: | 1-[4-ethyl-2-methyl-5-(6-morpholin-4-yl-1~{H}-benzimidazol-2-yl)-1~{H}-pyrrol-3-yl]ethanone |
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 | | 90F | | Name: | ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide | | Formula: | C32 H36 Cl2 F N7 O3 | | SMILES: | CCC(=O)Nc1cc(cc(F)c1Nc2n[nH]c3ccc(O[CH](C)c4c(Cl)cncc4Cl)cc23)N5CCC(CC5)N6CCOCC6 | | InChi: | InChI=1S/C32H36Cl2FN7O3/c1-3-29(43)37-28-15-21(41-8-6-20(7-9-41)42-10-12-44-13-11-42)14-26(35)31(28)38-32-23-16-22(4-5-27(23)39-40-32)45-19(2)30-24(33)17-36-18-25(30)34/h4-5,14-20H,3,6-13H2,1-2H3,(H,37,43)(H2,38,39,40)/t19-/m1/s1 | | Definition date: | 2021-12-28 | | Last modified: | 2022-03-25 | | Release date: | 2022-03-30 | | Identifier: | ~{N}-[2-[[5-[(1~{R})-1-[3,5-bis(chloranyl)pyridin-4-yl]ethoxy]-1~{H}-indazol-3-yl]amino]-3-fluoranyl-5-(4-morpholin-4-ylpiperidin-1-yl)phenyl]propanamide |
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 | | 1O4 | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(8-azanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C24 H30 N7 O13 P2 | | SMILES: | Nc1cccc2cc[n+](cc12)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O | | InChi: | InChI=1S/C24H29N7O13P2/c25-13-3-1-2-11-4-5-30(6-12(11)13)23-19(34)17(32)14(42-23)7-40-45(36,37)44-46(38,39)41-8-15-18(33)20(35)24(43-15)31-10-29-16-21(26)27-9-28-22(16)31/h1-6,9-10,14-15,17-20,23-25,32-35H,7-8H2,(H4,26,27,28,36,37,38,39)/p+1/t14-,15-,17-,18-,19-,20-,23-,24-/m1/s1 | | Definition date: | 2021-06-23 | | Last modified: | 2022-03-18 | | Release date: | 2022-03-23 | | Identifier: | 8-amino-2-[(2R,3R,4S,5R)-5-({[(R)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]isoquinolin-2-ium (non-preferred name) |
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 | | 1QD | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{S},4~{R},5~{R})-5-(5-iodanylisoquinolin-2-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate | | Formula: | C24 H28 I N6 O13 P2 | | SMILES: | Ic1cccc2c[n+](ccc21)C1OC(COP(=O)(O)OP(=O)(O)OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)C(O)C1O | | InChi: | InChI=1S/C24H27IN6O13P2/c25-13-3-1-2-11-6-30(5-4-12(11)13)23-19(34)17(32)14(42-23)7-40-45(36,37)44-46(38,39)41-8-15-18(33)20(35)24(43-15)31-10-29-16-21(26)27-9-28-22(16)31/h1-6,9-10,14-15,17-20,23-24,32-35H,7-8H2,(H3-,26,27,28,36,37,38,39)/p+1/t14-,15-,17-,18-,19-,20-,23-,24-/m1/s1 | | Definition date: | 2021-06-23 | | Last modified: | 2022-03-18 | | Release date: | 2022-03-23 | | Identifier: | 2-[(2R,3R,4S,5R)-5-({[(S)-{[(S)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}methyl)-3,4-dihydroxyoxolan-2-yl]-5-iodoisoquinolin-2-ium (non-preferred name) |
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 | | 7UN | | Name: | (8R)-8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]-5,8-dihydropyrido[4,3-d]pyrimidin-7(6H)-one | | Formula: | C23 H16 Cl F3 N6 O | | SMILES: | FC(F)(F)CNC=1N=CC2=CN(c3cc4cn(C)nc4cc3)C(=O)C(c3ccc(Cl)cc3)=C2N=1 | | InChi: | InChI=1S/C23H16ClF3N6O/c1-32-10-14-8-17(6-7-18(14)31-32)33-11-15-9-28-22(29-12-23(25,26)27)30-20(15)19(21(33)34)13-2-4-16(24)5-3-13/h2-11H,12H2,1H3,(H,29,30) | | Definition date: | 2021-08-20 | | Last modified: | 2022-03-18 | | Release date: | 2022-03-23 | | Identifier: | 8-(4-chlorophenyl)-6-(2-methyl-2H-indazol-5-yl)-2-[(2,2,2-trifluoroethyl)amino]pyrido[4,3-d]pyrimidin-7(6H)-one |
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 | | ZJG | | Name: | cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C37 H48 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CCC3)CCCCCC=CC2C1 | | InChi: | InChI=1S/C37H48N6O9S/c1-22-32(39-29-18-25(50-3)14-15-27(29)38-22)51-26-19-30-31(44)41-37(34(46)42-53(48,49)36(2)16-17-36)20-23(37)10-7-5-4-6-8-13-28(33(45)43(30)21-26)40-35(47)52-24-11-9-12-24/h7,10,14-15,18,23-24,26,28,30H,4-6,8-9,11-13,16-17,19-21H2,1-3H3,(H,40,47)(H,41,44)(H,42,46)/b10-7-/t23-,26-,28+,30+,37-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | cyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | ZJJ | | Name: | 3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C37 H46 F2 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC3CC(F)(F)C3)CCCCCC=CC2C1 | | InChi: | InChI=1S/C37H46F2N6O9S/c1-21-31(41-28-15-23(52-3)11-12-26(28)40-21)53-24-16-29-30(46)43-37(33(48)44-55(50,51)35(2)13-14-35)17-22(37)9-7-5-4-6-8-10-27(32(47)45(29)20-24)42-34(49)54-25-18-36(38,39)19-25/h7,9,11-12,15,22,24-25,27,29H,4-6,8,10,13-14,16-20H2,1-3H3,(H,42,49)(H,43,46)(H,44,48)/b9-7-/t22-,24-,27+,29+,37-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | 3,3-difluorocyclobutyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | ZKA | | Name: | (1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C38 H50 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OCC3(C)CC3)CCCCCC=CC2C1 | | InChi: | InChI=1S/C38H50N6O9S/c1-23-32(40-29-18-25(51-4)12-13-27(29)39-23)53-26-19-30-31(45)42-38(34(47)43-54(49,50)37(3)16-17-37)20-24(38)10-8-6-5-7-9-11-28(33(46)44(30)21-26)41-35(48)52-22-36(2)14-15-36/h8,10,12-13,18,24,26,28,30H,5-7,9,11,14-17,19-22H2,1-4H3,(H,41,48)(H,42,45)(H,43,47)/b10-8-/t24-,26-,28+,30+,38-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | (1-methylcyclopropyl)methyl {(2R,4S,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | ZKJ | | Name: | (2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate | | Formula: | C36 H45 F3 N6 O9 S | | SMILES: | CC1(CC1)S(=O)(=O)NC(=O)C12NC(=O)C3CC(Oc4nc5cc(OC)ccc5nc4C)CN3C(=O)C(NC(=O)OC(C)C(F)(F)F)CCCCCC=CC2C1 | | InChi: | InChI=1S/C36H45F3N6O9S/c1-20-30(41-27-16-23(52-4)12-13-25(27)40-20)54-24-17-28-29(46)43-35(32(48)44-55(50,51)34(3)14-15-34)18-22(35)10-8-6-5-7-9-11-26(31(47)45(28)19-24)42-33(49)53-21(2)36(37,38)39/h8,10,12-13,16,21-22,24,26,28H,5-7,9,11,14-15,17-19H2,1-4H3,(H,42,49)(H,43,46)(H,44,48)/b10-8-/t21-,22-,24-,26+,28+,35-/m1/s1 | | Definition date: | 2021-04-30 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | (2R)-1,1,1-trifluoropropan-2-yl {(2R,4R,6S,12Z,13aS,14aR,16aS)-2-[(7-methoxy-3-methylquinoxalin-2-yl)oxy]-14a-[(1-methylcyclopropane-1-sulfonyl)carbamoyl]-5,16-dioxo-1,2,3,5,6,7,8,9,10,11,13a,14,14a,15,16,16a-hexadecahydrocyclopropa[e]pyrrolo[1,2-a][1,4]diazacyclopentadecin-6-yl}carbamate |
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 | | YJJ | | Name: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | | Formula: | C26 H24 Cl N7 O4 | | SMILES: | N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=CN(C)C(=O)c12 | | InChi: | InChI=1S/C26H24ClN7O4/c1-15-7-16(8-17(10-28)24(15)36)18-12-34(25-23(18)26(37)32(2)14-30-25)13-22(35)31-20-9-21(29-11-19(20)27)33-3-5-38-6-4-33/h7-9,11-12,14,36H,3-6,13H2,1-2H3,(H,29,31,35) | | Definition date: | 2021-03-11 | | Last modified: | 2022-03-11 | | Release date: | 2022-03-16 | | Identifier: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide |
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