 | | UOK | | Name: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile | | Formula: | C11 H10 N2 O | | SMILES: | COc1ccc2[nH]cc(CC#N)c2c1 | | InChi: | InChI=1S/C11H10N2O/c1-14-9-2-3-11-10(6-9)8(4-5-12)7-13-11/h2-3,6-7,13H,4H2,1H3 | | Definition date: | 2021-03-03 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-(5-methoxy-1~{H}-indol-3-yl)ethanenitrile |
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 | | V4V | | Name: | 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | | Formula: | C23 H22 N4 O | | SMILES: | c4(N)ccc1c(cc(cc1)COc2cc(ccc2)CNCc3ccccn3)n4 | | InChi: | InChI=1S/C23H22N4O/c24-23-10-9-19-8-7-18(13-22(19)27-23)16-28-21-6-3-4-17(12-21)14-25-15-20-5-1-2-11-26-20/h1-13,25H,14-16H2,(H2,24,27) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-{[3-({[(pyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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 | | V4Y | | Name: | 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | | Formula: | C25 H27 N5 O | | SMILES: | c1(nc(ccc1)CCCNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N | | InChi: | InChI=1S/C25H27N5O/c26-24-8-2-5-21(29-24)6-3-13-28-16-18-4-1-7-22(14-18)31-17-19-9-10-20-11-12-25(27)30-23(20)15-19/h1-2,4-5,7-12,14-15,28H,3,6,13,16-17H2,(H2,26,29)(H2,27,30) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-{[3-({[3-(6-aminopyridin-2-yl)propyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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 | | V54 | | Name: | 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | | Formula: | C23 H23 N5 O | | SMILES: | c1(nc(ccc1)CNCc2cc(ccc2)OCc3cc4c(cc3)ccc(N)n4)N | | InChi: | InChI=1S/C23H23N5O/c24-22-6-2-4-19(27-22)14-26-13-16-3-1-5-20(11-16)29-15-17-7-8-18-9-10-23(25)28-21(18)12-17/h1-12,26H,13-15H2,(H2,24,27)(H2,25,28) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-{[3-({[(6-aminopyridin-2-yl)methyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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 | | V57 | | Name: | 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | | Formula: | C24 H24 N4 O | | SMILES: | c1(nc4c(cc1)ccc(COc3cccc(CNCCc2ccccn2)c3)c4)N | | InChi: | InChI=1S/C24H24N4O/c25-24-10-9-20-8-7-19(15-23(20)28-24)17-29-22-6-3-4-18(14-22)16-26-13-11-21-5-1-2-12-27-21/h1-10,12,14-15,26H,11,13,16-17H2,(H2,25,28) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-{[3-({[2-(pyridin-2-yl)ethyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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 | | V5D | | Name: | 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine | | Formula: | C26 H29 N5 O | | SMILES: | c1(N)cccc(n1)CCCCNCc2cc(ccc2)OCc4ccc3ccc(nc3c4)N | | InChi: | InChI=1S/C26H29N5O/c27-25-9-4-7-22(30-25)6-1-2-14-29-17-19-5-3-8-23(15-19)32-18-20-10-11-21-12-13-26(28)31-24(21)16-20/h3-5,7-13,15-16,29H,1-2,6,14,17-18H2,(H2,27,30)(H2,28,31) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-{[3-({[4-(6-aminopyridin-2-yl)butyl]amino}methyl)phenoxy]methyl}quinolin-2-amine |
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 | | V5G | | Name: | 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine | | Formula: | C23 H22 N4 O | | SMILES: | c1(nc(ccc1)CCc2cccc(c2)OCc3cc4c(cc3)ccc(N)n4)N | | InChi: | InChI=1S/C23H22N4O/c24-22-6-2-4-19(26-22)11-8-16-3-1-5-20(13-16)28-15-17-7-9-18-10-12-23(25)27-21(18)14-17/h1-7,9-10,12-14H,8,11,15H2,(H2,24,26)(H2,25,27) | | Definition date: | 2020-06-26 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-({3-[2-(6-aminopyridin-2-yl)ethyl]phenoxy}methyl)quinolin-2-amine |
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 | | AF6 | | Name: | N-benzyl-9H-beta-carbolin-3-amine | | Formula: | C18 H15 N3 | | SMILES: | c1c4c(cc(n1)NCc2ccccc2)c3ccccc3n4 | | InChi: | InChI=1S/C18H15N3/c1-2-6-13(7-3-1)11-19-18-10-15-14-8-4-5-9-16(14)21-17(15)12-20-18/h1-10,12,21H,11H2,(H,19,20) | | Definition date: | 2018-11-01 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | N-benzyl-9H-beta-carbolin-3-amine |
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 | | VYJ | | Name: | 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one | | Formula: | C36 H46 N8 O3 | | SMILES: | C1(CCN(CC1)C(c6cc(c(Nc4ncc3N(C(=O)c2ccccc2N(c3n4)C5CCCC5)C)cc6)OCC)=O)N7CCN(C)CC7 | | InChi: | InChI=1S/C36H46N8O3/c1-4-47-32-23-25(34(45)43-17-15-26(16-18-43)42-21-19-40(2)20-22-42)13-14-29(32)38-36-37-24-31-33(39-36)44(27-9-5-6-10-27)30-12-8-7-11-28(30)35(46)41(31)3/h7-8,11-14,23-24,26-27H,4-6,9-10,15-22H2,1-3H3,(H,37,38,39) | | Definition date: | 2020-09-21 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 11-cyclopentyl-2-({2-ethoxy-4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl}amino)-5-methyl-5,11-dihydro-6H-pyrimido[4,5-b][1,4]benzodiazepin-6-one |
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 | | J86 | | Name: | [(1S)-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid | | Formula: | C11 H13 Br N3 O5 P | | SMILES: | C[CH](NCc1cc(Br)cc2NC(=O)C(=O)Nc12)[P](O)(O)=O | | InChi: | InChI=1S/C11H13BrN3O5P/c1-5(21(18,19)20)13-4-6-2-7(12)3-8-9(6)15-11(17)10(16)14-8/h2-3,5,13H,4H2,1H3,(H,14,16)(H,15,17)(H2,18,19,20)/t5-/m0/s1 | | Definition date: | 2021-04-23 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | [(1~{S})-1-[[7-bromanyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxalin-5-yl]methylamino]ethyl]phosphonic acid |
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 | | JGW | | Name: | 2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one | | Formula: | C24 H18 F3 N O2 | | SMILES: | CC1=Nc2ccccc2C(=O)[CH]1c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3 | | InChi: | InChI=1S/C24H18F3NO2/c1-15-22(23(29)20-4-2-3-5-21(20)28-15)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)30-24(25,26)27/h2-13,22H,14H2,1H3/t22-/m0/s1 | | Definition date: | 2019-02-25 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-methyl-3-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-3~{H}-quinolin-4-one |
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 | | JHB | | Name: | 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one | | Formula: | C24 H17 Cl F3 N O2 | | SMILES: | CC1=C(Nc2cc(Cl)ccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3 | | InChi: | InChI=1S/C24H17ClF3NO2/c1-14-22(29-21-13-18(25)8-11-20(21)23(14)30)17-6-2-15(3-7-17)12-16-4-9-19(10-5-16)31-24(26,27)28/h2-11,13H,12H2,1H3,(H,29,30) | | Definition date: | 2019-02-25 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 7-chloranyl-3-methyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]-1~{H}-quinolin-4-one |
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 | | JHE | | Name: | 3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one | | Formula: | C24 H18 F3 N O3 | | SMILES: | CC1=C(N(O)c2ccccc2C1=O)c3ccc(Cc4ccc(OC(F)(F)F)cc4)cc3 | | InChi: | InChI=1S/C24H18F3NO3/c1-15-22(28(30)21-5-3-2-4-20(21)23(15)29)18-10-6-16(7-11-18)14-17-8-12-19(13-9-17)31-24(25,26)27/h2-13,30H,14H2,1H3 | | Definition date: | 2019-02-25 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 3-methyl-1-oxidanyl-2-[4-[[4-(trifluoromethyloxy)phenyl]methyl]phenyl]quinolin-4-one |
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 | | T3K | | Name: | 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one | | Formula: | C21 H30 N2 O5 | | SMILES: | COc1ccc(cc1OC2CCCC2)C(C)=NOCCC(=O)N3CCOCC3 | | InChi: | InChI=1S/C21H30N2O5/c1-16(22-27-12-9-21(24)23-10-13-26-14-11-23)17-7-8-19(25-2)20(15-17)28-18-5-3-4-6-18/h7-8,15,18H,3-6,9-14H2,1-2H3/b22-16+ | | Definition date: | 2020-12-14 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 3-[(~{E})-1-(3-cyclopentyloxy-4-methoxy-phenyl)ethylideneamino]oxy-1-morpholin-4-yl-propan-1-one |
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 | | WV1 | | Name: | N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide | | Formula: | C12 H16 N2 O | | SMILES: | c2c(NC(=O)C1CC1)ccc(c2)C(C)N | | InChi: | InChI=1S/C12H16N2O/c1-8(13)9-4-6-11(7-5-9)14-12(15)10-2-3-10/h4-8,10H,2-3,13H2,1H3,(H,14,15)/t8-/m1/s1 | | Definition date: | 2020-11-17 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | N-{4-[(1R)-1-aminoethyl]phenyl}cyclopropanecarboxamide |
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 | | WV4 | | Name: | N-ethyl-2-fluoro-4-(methylsulfonyl)aniline | | Formula: | C9 H12 F N O2 S | | SMILES: | c1cc(NCC)c(cc1S(C)(=O)=O)F | | InChi: | InChI=1S/C9H12FNO2S/c1-3-11-9-5-4-7(6-8(9)10)14(2,12)13/h4-6,11H,3H2,1-2H3 | | Definition date: | 2020-11-17 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | N-ethyl-2-fluoro-4-(methylsulfonyl)aniline |
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 | | WVD | | Name: | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one | | Formula: | C9 H11 N3 O2 S | | SMILES: | C2NC(=O)CN(C(c1c(C)ncs1)=O)C2 | | InChi: | InChI=1S/C9H11N3O2S/c1-6-8(15-5-11-6)9(14)12-3-2-10-7(13)4-12/h5H,2-4H2,1H3,(H,10,13) | | Definition date: | 2020-11-17 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 4-(4-methyl-1,3-thiazole-5-carbonyl)piperazin-2-one |
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 | | WZ7 | | Name: | 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide | | Formula: | C11 H13 N3 O | | SMILES: | c2cnc(NC1CC=CC1)cc2C(=O)N | | InChi: | InChI=1S/C11H13N3O/c12-11(15)8-5-6-13-10(7-8)14-9-3-1-2-4-9/h1-2,5-7,9H,3-4H2,(H2,12,15)(H,13,14) | | Definition date: | 2020-11-18 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-[(cyclopent-3-en-1-yl)amino]pyridine-4-carboxamide |
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 | | WZM | | Name: | 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide | | Formula: | C10 H14 N4 O | | SMILES: | c1(ccc(nn1)N(C)C2CCC2)C(=O)N | | InChi: | InChI=1S/C10H14N4O/c1-14(7-3-2-4-7)9-6-5-8(10(11)15)12-13-9/h5-7H,2-4H2,1H3,(H2,11,15) | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 6-[cyclobutyl(methyl)amino]pyridazine-3-carboxamide |
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 | | WZP | | Name: | 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one | | Formula: | C11 H22 N2 O | | SMILES: | C1CN(C(C(C)C)=O)CCN1C(C)C | | InChi: | InChI=1S/C11H22N2O/c1-9(2)11(14)13-7-5-12(6-8-13)10(3)4/h9-10H,5-8H2,1-4H3 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-methyl-1-[4-(propan-2-yl)piperazin-1-yl]propan-1-one |
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 | | WZS | | Name: | 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one | | Formula: | C15 H22 N2 O | | SMILES: | c2c(CCNC1CCN(C(C)=O)CC1)cccc2 | | InChi: | InChI=1S/C15H22N2O/c1-13(18)17-11-8-15(9-12-17)16-10-7-14-5-3-2-4-6-14/h2-6,15-16H,7-12H2,1H3 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 1-{4-[(2-phenylethyl)amino]piperidin-1-yl}ethan-1-one |
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 | | WZY | | Name: | N-(4-methoxyphenyl)glycinamide | | Formula: | C9 H12 N2 O2 | | SMILES: | N(c1ccc(cc1)OC)C(CN)=O | | InChi: | InChI=1S/C9H12N2O2/c1-13-8-4-2-7(3-5-8)11-9(12)6-10/h2-5H,6,10H2,1H3,(H,11,12) | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | N-(4-methoxyphenyl)glycinamide |
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 | | X0G | | Name: | 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine | | Formula: | C10 H15 N3 O2 | | SMILES: | C3N(Cc1nc(no1)C2CC2)CCOC3 | | InChi: | InChI=1S/C10H15N3O2/c1-2-8(1)10-11-9(15-12-10)7-13-3-5-14-6-4-13/h8H,1-7H2 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]morpholine |
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 | | X0M | | Name: | N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide | | Formula: | C11 H14 N2 O | | SMILES: | c2c1CC(CNc1ccc2)NC(C)=O | | InChi: | InChI=1S/C11H14N2O/c1-8(14)13-10-6-9-4-2-3-5-11(9)12-7-10/h2-5,10,12H,6-7H2,1H3,(H,13,14)/t10-/m0/s1 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | N-[(3S)-1,2,3,4-tetrahydroquinolin-3-yl]acetamide |
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 | | X0S | | Name: | 2-chloro-N-methylbenzene-1-sulfonamide | | Formula: | C7 H8 Cl N O2 S | | SMILES: | c1c(S(NC)(=O)=O)c(Cl)ccc1 | | InChi: | InChI=1S/C7H8ClNO2S/c1-9-12(10,11)7-5-3-2-4-6(7)8/h2-5,9H,1H3 | | Definition date: | 2020-11-19 | | Last modified: | 2021-06-25 | | Release date: | 2021-06-30 | | Identifier: | 2-chloro-N-methylbenzene-1-sulfonamide |
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