| OZP | Name: | 9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine | Formula: | C24 H32 N8 O6 | SMILES: | c12c(ncnc1n(cn2)C4C(C(C(CN(CCC(N)C(O)=O)CCCc3cccc(c3)C(N)=O)O4)O)O)N | InChi: | InChI=1S/C24H32N8O6/c25-15(24(36)37)6-8-31(7-2-4-13-3-1-5-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3,5,9,11-12,15-16,18-19,23,33-34H,2,4,6-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16+,18+,19+,23-/m0/s1 | Definition date: | 2019-07-22 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 9-(5-{[(3S)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)propyl]amino}-5-deoxy-alpha-D-ribofuranosyl)-9H-purin-6-amine |
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| P0V | Name: | 9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine | Formula: | C24 H28 N8 O6 | SMILES: | c1c(cccc1C#CCN(CC4C(C(C(n3c2ncnc(c2nc3)N)O4)O)O)CCC(N)C(O)=O)C(N)=O | InChi: | InChI=1S/C24H28N8O6/c25-15(24(36)37)6-8-31(7-2-4-13-3-1-5-14(9-13)21(27)35)10-16-18(33)19(34)23(38-16)32-12-30-17-20(26)28-11-29-22(17)32/h1,3,5,9,11-12,15-16,18-19,23,33-34H,6-8,10,25H2,(H2,27,35)(H,36,37)(H2,26,28,29)/t15-,16-,18+,19+,23+/m1/s1 | Definition date: | 2019-07-22 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 9-(5-{[(3R)-3-amino-3-carboxypropyl][3-(3-carbamoylphenyl)prop-2-yn-1-yl]amino}-5-deoxy-alpha-D-lyxofuranosyl)-9H-purin-6-amine |
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| QLN | Name: | 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid | Formula: | C25 H16 N2 O3 | SMILES: | OC(=O)c1cccc(c1)N2C(=O)c3ccccc3N=C2C=Cc4ccc(cc4)C#C | InChi: | InChI=1S/C25H16N2O3/c1-2-17-10-12-18(13-11-17)14-15-23-26-22-9-4-3-8-21(22)24(28)27(23)20-7-5-6-19(16-20)25(29)30/h1,3-16H,(H,29,30)/b15-14+ | Definition date: | 2018-12-18 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 3-[2-[(~{E})-2-(4-ethynylphenyl)ethenyl]-4-oxidanylidene-quinazolin-3-yl]benzoic acid |
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| R2R | Name: | ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2) | Formula: | H28 N14 O2 Ru3 | SMILES: | N[Ru](N)(N)(N)(O[Ru](N)(N)(N)(N)N)O[Ru](N)(N)(N)(N)N | InChi: | InChI=1S/14H2N.2O.3Ru/h14*1H2 | Definition date: | 2019-10-02 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | ruthenium(6+) azanide pentaamino(oxido)ruthenium (1/4/2) |
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| F1W | Name: | 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide | Formula: | C25 H34 N4 O2 S | SMILES: | CN(C)CCCCC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(cc2)C(C)(C)C)cc1 | InChi: | InChI=1S/C25H34N4O2S/c1-25(2,3)19-11-9-18(10-12-19)23(31)28-24(32)27-21-15-13-20(14-16-21)26-22(30)8-6-7-17-29(4)5/h9-16H,6-8,17H2,1-5H3,(H,26,30)(H2,27,28,31,32) | Definition date: | 2018-05-17 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 4-~{tert}-butyl-~{N}-[[4-[5-(dimethylamino)pentanoylamino]phenyl]carbamothioyl]benzamide |
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| AWL | Name: | 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone | Formula: | C22 H29 Cl N2 O | SMILES: | Cc1ccc(Cl)cc1N2CCN(CC2)C(=O)C34CC5CC(CC(C5)C3)C4 | InChi: | InChI=1S/C22H29ClN2O/c1-15-2-3-19(23)11-20(15)24-4-6-25(7-5-24)21(26)22-12-16-8-17(13-22)10-18(9-16)14-22/h2-3,11,16-18H,4-10,12-14H2,1H3/t16-,17+,18-,22- | Definition date: | 2018-11-30 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 1-adamantyl-[4-(5-chloranyl-2-methyl-phenyl)piperazin-1-yl]methanone |
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| AWO | Name: | N-(5-ethyl-1,2-oxazol-3-yl)-N'-[4-(2-{[6-(4-ethylpyrazin-1(4H)-yl)pyrimidin-4-yl]amino}-1,3-thiazol-5-yl)phenyl]urea | Formula: | C25 H25 N9 O2 S | SMILES: | C=5N(C=CN(c4cc(Nc3ncc(c1ccc(cc1)NC(Nc2cc(CC)on2)=O)s3)ncn4)C=5)CC | InChi: | InChI=1S/C25H25N9O2S/c1-3-19-13-22(32-36-19)30-24(35)29-18-7-5-17(6-8-18)20-15-26-25(37-20)31-21-14-23(28-16-27-21)34-11-9-33(4-2)10-12-34/h5-16H,3-4H2,1-2H3,(H,26,27,28,31)(H2,29,30,32,35) | Definition date: | 2018-12-04 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | N-(5-ethyl-1,2-oxazol-3-yl)-N'-[4-(2-{[6-(4-ethylpyrazin-1(4H)-yl)pyrimidin-4-yl]amino}-1,3-thiazol-5-yl)phenyl]urea |
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| 4FQ | Name: | 4-amino-5-hydroxy-6-[(E)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid | Formula: | C28 H25 N5 O8 S2 | SMILES: | CC(C)C(c2c1n(cccc1)nc2Cc3cccc(c3)N=Nc5ccc4c(S(O)(=O)=O)cc(c(c4c5O)N)S(O)(=O)=O)=O | InChi: | InChI=1S/C28H25N5O8S2/c1-15(2)27(34)25-20(32-33-11-4-3-8-21(25)33)13-16-6-5-7-17(12-16)30-31-19-10-9-18-22(42(36,37)38)14-23(43(39,40)41)26(29)24(18)28(19)35/h3-12,14-15,35H,13,29H2,1-2H3,(H,36,37,38)(H,39,40,41)/b31-30+ | Definition date: | 2015-03-17 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 4-amino-5-hydroxy-6-[(E)-(3-{[3-(2-methylpropanoyl)pyrazolo[1,5-a]pyridin-2-yl]methyl}phenyl)diazenyl]naphthalene-1,3-disulfonic acid |
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| H7B | Name: | 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone | Formula: | C27 H31 Cl N6 O2 | SMILES: | COc1ccc2n3c(C)nnc3[CH](CC(=O)N4CCC(CC4)N(C)C)N=C(c5ccc(Cl)cc5)c2c1 | InChi: | InChI=1S/C27H31ClN6O2/c1-17-30-31-27-23(16-25(35)33-13-11-20(12-14-33)32(2)3)29-26(18-5-7-19(28)8-6-18)22-15-21(36-4)9-10-24(22)34(17)27/h5-10,15,20,23H,11-14,16H2,1-4H3/t23-/m0/s1 | Definition date: | 2018-11-19 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]-1-[4-(dimethylamino)piperidin-1-yl]ethanone |
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| H7E | Name: | [1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium | Formula: | C34 H39 Cl N7 O2 | SMILES: | COc1ccc2n3c(C)nnc3[CH](CC(=O)Nc4ccc(cc4)N5CCC(CC5)[N+](C)(C)C)N=C(c6ccc(Cl)cc6)c2c1 | InChi: | InChI=1S/C34H38ClN7O2/c1-22-38-39-34-30(21-32(43)36-25-10-12-26(13-11-25)40-18-16-27(17-19-40)42(2,3)4)37-33(23-6-8-24(35)9-7-23)29-20-28(44-5)14-15-31(29)41(22)34/h6-15,20,27,30H,16-19,21H2,1-5H3/p+1/t30-/m0/s1 | Definition date: | 2018-11-19 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | [1-[4-[2-[(4~{S})-6-(4-chlorophenyl)-8-methoxy-1-methyl-4~{H}-[1,2,4]triazolo[4,3-a][1,4]benzodiazepin-4-yl]ethanoylamino]phenyl]piperidin-4-yl]-trimethyl-azanium |
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| HJW | Name: | ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate | Formula: | C17 H18 Cl N O3 S | SMILES: | CCOC(=O)[CH](C)N(C(=O)c1sccc1)c2c(C)cccc2Cl | InChi: | InChI=1S/C17H18ClNO3S/c1-4-22-17(21)12(3)19(16(20)14-9-6-10-23-14)15-11(2)7-5-8-13(15)18/h5-10,12H,4H2,1-3H3/t12-/m0/s1 | Definition date: | 2018-12-11 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | ethyl (2~{S})-2-[(2-chloranyl-6-methyl-phenyl)-thiophen-2-ylcarbonyl-amino]propanoate |
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| HKE | Name: | propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate | Formula: | C17 H17 Cl2 N O4 | SMILES: | CC(C)OC(=O)[CH](C)N(C(=O)c1occc1)c2c(Cl)cccc2Cl | InChi: | InChI=1S/C17H17Cl2NO4/c1-10(2)24-17(22)11(3)20(16(21)14-8-5-9-23-14)15-12(18)6-4-7-13(15)19/h4-11H,1-3H3/t11-/m0/s1 | Definition date: | 2018-12-12 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | propan-2-yl (2~{S})-2-[[2,6-bis(chloranyl)phenyl]-(furan-2-ylcarbonyl)amino]propanoate |
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| HKZ | Name: | 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole | Formula: | C21 H16 Cl2 N2 O | SMILES: | Cc1n(c(nc1Cc2ccccc2)c3occc3)c4c(Cl)cccc4Cl | InChi: | InChI=1S/C21H16Cl2N2O/c1-14-18(13-15-7-3-2-4-8-15)24-21(19-11-6-12-26-19)25(14)20-16(22)9-5-10-17(20)23/h2-12H,13H2,1H3 | Definition date: | 2018-12-13 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 1-[2,6-bis(chloranyl)phenyl]-2-(furan-2-yl)-5-methyl-4-(phenylmethyl)imidazole |
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| HL8 | Name: | 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid | Formula: | C19 H13 Cl3 F3 N3 O3 | SMILES: | Cc1n(c(nc1C(F)(F)F)c2oc(Cl)cc2)c3c(Cl)ccc(N4CC(C4)C(O)=O)c3Cl | InChi: | InChI=1S/C19H13Cl3F3N3O3/c1-8-16(19(23,24)25)26-17(12-4-5-13(21)31-12)28(8)15-10(20)2-3-11(14(15)22)27-6-9(7-27)18(29)30/h2-5,9H,6-7H2,1H3,(H,29,30) | Definition date: | 2018-12-13 | Last modified: | 2019-11-22 | Release date: | 2019-11-27 | Identifier: | 1-[2,4-bis(chloranyl)-3-[2-(5-chloranylfuran-2-yl)-5-methyl-4-(trifluoromethyl)imidazol-1-yl]phenyl]azetidine-3-carboxylic acid |
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| K9V | Name: | N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea | Formula: | C23 H28 F2 N2 O2 | SMILES: | c3ccc(CCCNC(=O)NC1CCC(CC1)OCc2c(F)cccc2F)cc3 | InChi: | InChI=1S/C23H28F2N2O2/c24-21-9-4-10-22(25)20(21)16-29-19-13-11-18(12-14-19)27-23(28)26-15-5-8-17-6-2-1-3-7-17/h1-4,6-7,9-10,18-19H,5,8,11-16H2,(H2,26,27,28)/t18-,19+ | Definition date: | 2018-11-16 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | N-{cis-4-[(2,6-difluorophenyl)methoxy]cyclohexyl}-N'-(3-phenylpropyl)urea |
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| KC4 | Name: | N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide | Formula: | C22 H24 F3 N3 O4 | SMILES: | C2(CCC(NC(=O)Nc1ccc(cc1)OC(F)(F)F)CC2)Oc3ccc(C(NC)=O)cc3 | InChi: | InChI=1S/C22H24F3N3O4/c1-26-20(29)14-2-8-17(9-3-14)31-18-10-4-15(5-11-18)27-21(30)28-16-6-12-19(13-7-16)32-22(23,24)25/h2-3,6-9,12-13,15,18H,4-5,10-11H2,1H3,(H,26,29)(H2,27,28,30)/t15-,18- | Definition date: | 2018-11-19 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | N-methyl-4-{[trans-4-({[4-(trifluoromethoxy)phenyl]carbamoyl}amino)cyclohexyl]oxy}benzamide |
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| KDS | Name: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide | Formula: | C23 H22 F3 N3 O2 | SMILES: | c4c(ccc(NC(=O)N1CCC(CC1)Cc3cnc2ccccc2c3)c4)OC(F)(F)F | InChi: | InChI=1S/C23H22F3N3O2/c24-23(25,26)31-20-7-5-19(6-8-20)28-22(30)29-11-9-16(10-12-29)13-17-14-18-3-1-2-4-21(18)27-15-17/h1-8,14-16H,9-13H2,(H,28,30) | Definition date: | 2018-11-26 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 4-[(quinolin-3-yl)methyl]-N-[4-(trifluoromethoxy)phenyl]piperidine-1-carboxamide |
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| KJ1 | Name: | N-(8-amino-8-oxooctyl)nonanamide | Formula: | C17 H34 N2 O2 | SMILES: | C(CNC(CCCCCCCC)=O)CCCCCC(=O)N | InChi: | InChI=1S/C17H34N2O2/c1-2-3-4-5-8-11-14-17(21)19-15-12-9-6-7-10-13-16(18)20/h2-15H2,1H3,(H2,18,20)(H,19,21) | Definition date: | 2018-12-10 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | N-(8-amino-8-oxooctyl)nonanamide |
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| L1H | Name: | 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide | Formula: | C23 H21 F N4 O2 | SMILES: | CC(C)(O)Cn1c(NC(=O)c2cc(F)cc(c2)c3cccnc3)nc4ccccc14 | InChi: | InChI=1S/C23H21FN4O2/c1-23(2,30)14-28-20-8-4-3-7-19(20)26-22(28)27-21(29)17-10-16(11-18(24)12-17)15-6-5-9-25-13-15/h3-13,30H,14H2,1-2H3,(H,26,27,29) | Definition date: | 2019-07-12 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 3-fluoranyl-~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-5-pyridin-3-yl-benzamide |
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| L1K | Name: | ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide | Formula: | C23 H22 N4 O2 | SMILES: | CC(C)(O)Cn1c(NC(=O)c2ccnc(c2)c3ccccc3)nc4ccccc14 | InChi: | InChI=1S/C23H22N4O2/c1-23(2,29)15-27-20-11-7-6-10-18(20)25-22(27)26-21(28)17-12-13-24-19(14-17)16-8-4-3-5-9-16/h3-14,29H,15H2,1-2H3,(H,25,26,28) | Definition date: | 2019-07-12 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | ~{N}-[1-(2-methyl-2-oxidanyl-propyl)benzimidazol-2-yl]-2-phenyl-pyridine-4-carboxamide |
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| L3Z | Name: | 8-oxa-14,21,23,28-tetraazapentacyclo[23.3.1.02,7.014,22.015,20]nonacosa-1(28),2(7),3,5,15,17,19,21,25(29),26-decaen-24-one | Formula: | C24 H22 N4 O2 | SMILES: | O=C1Nc2nc3ccccc3n2CCCCCOc4ccccc4c5cc1ccn5 | InChi: | InChI=1S/C24H22N4O2/c29-23-17-12-13-25-20(16-17)18-8-2-5-11-22(18)30-15-7-1-6-14-28-21-10-4-3-9-19(21)26-24(28)27-23/h2-5,8-13,16H,1,6-7,14-15H2,(H,26,27,29) | Definition date: | 2019-07-19 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 |
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| MKP | Name: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide | Formula: | C21 H21 N5 O3 | SMILES: | c1c(ccc(c1c2cc3c(nc2)N(C(N3)=O)C(C)(C)C)C)C(Nc4ccon4)=O | InChi: | InChI=1S/C21H21N5O3/c1-12-5-6-13(19(27)24-17-7-8-29-25-17)9-15(12)14-10-16-18(22-11-14)26(20(28)23-16)21(2,3)4/h5-11H,1-4H3,(H,23,28)(H,24,25,27) | Definition date: | 2019-04-08 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 3-(3-tert-butyl-2-oxo-2,3-dihydro-1H-imidazo[4,5-b]pyridin-6-yl)-4-methyl-N-(1,2-oxazol-3-yl)benzamide |
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| QL7 | Name: | N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide | Formula: | C24 H27 F N6 O4 | SMILES: | C(F)(C(C)(C)O)CN1Cc2c(C1=O)cc(c(c2)NC(=O)c3cnn4c3nccc4)N5CCOCC5 | InChi: | InChI=1S/C24H27FN6O4/c1-24(2,34)20(25)14-30-13-15-10-18(19(11-16(15)23(30)33)29-6-8-35-9-7-29)28-22(32)17-12-27-31-5-3-4-26-21(17)31/h3-5,10-12,20,34H,6-9,13-14H2,1-2H3,(H,28,32)/t20-/m1/s1 | Definition date: | 2019-11-13 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | N-{2-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(morpholin-4-yl)-1-oxo-2,3-dihydro-1H-isoindol-5-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide |
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| CQO | Name: | 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine | Formula: | C18 H20 N2 O2 S | SMILES: | COc1ccc2nc3ccc(OC)cc3c(SCCCN)c2c1 | InChi: | InChI=1S/C18H20N2O2S/c1-21-12-4-6-16-14(10-12)18(23-9-3-8-19)15-11-13(22-2)5-7-17(15)20-16/h4-7,10-11H,3,8-9,19H2,1-2H3 | Definition date: | 2019-05-14 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | 3-(2,7-dimethoxyacridin-9-yl)sulfanylpropan-1-amine |
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| GZE | Name: | [4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate | Formula: | C14 H11 Cl F3 N3 O4 S | SMILES: | N[S](=O)(=O)Oc1ccc(NC(=O)Nc2ccc(Cl)c(c2)C(F)(F)F)cc1 | InChi: | InChI=1S/C14H11ClF3N3O4S/c15-12-6-3-9(7-11(12)14(16,17)18)21-13(22)20-8-1-4-10(5-2-8)25-26(19,23)24/h1-7H,(H2,19,23,24)(H2,20,21,22) | Definition date: | 2018-10-26 | Last modified: | 2019-11-15 | Release date: | 2019-11-20 | Identifier: | [4-[[4-chloranyl-3-(trifluoromethyl)phenyl]carbamoylamino]phenyl] sulfamate |
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