| OSD | Name: | 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine | Formula: | C20 H23 N3 O | SMILES: | c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OC(C)C)CN | InChi: | InChI=1S/C20H23N3O/c1-12(2)24-19-7-5-14(9-16(19)11-21)15-4-6-17-13(3)8-20(22)23-18(17)10-15/h4-10,12H,11,21H2,1-3H3,(H2,22,23) | Definition date: | 2019-07-03 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-{3-(aminomethyl)-4-[(propan-2-yl)oxy]phenyl}-4-methylquinolin-2-amine |
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| OSG | Name: | 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine | Formula: | C20 H23 N3 O | SMILES: | c21nc(N)cc(c1ccc(c2)c3ccc(OCCC)c(c3)CN)C | InChi: | InChI=1S/C20H23N3O/c1-3-8-24-19-7-5-14(10-16(19)12-21)15-4-6-17-13(2)9-20(22)23-18(17)11-15/h4-7,9-11H,3,8,12,21H2,1-2H3,(H2,22,23) | Definition date: | 2019-07-03 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-[3-(aminomethyl)-4-propoxyphenyl]-4-methylquinolin-2-amine |
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| OSJ | Name: | 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine | Formula: | C19 H21 N3 O | SMILES: | NCc1cc(ccc1OCC)c2ccc3c(c2)nc(cc3C)N | InChi: | InChI=1S/C19H21N3O/c1-3-23-18-7-5-13(9-15(18)11-20)14-4-6-16-12(2)8-19(21)22-17(16)10-14/h4-10H,3,11,20H2,1-2H3,(H2,21,22) | Definition date: | 2019-07-03 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-[3-(aminomethyl)-4-ethoxyphenyl]-4-methylquinolin-2-amine |
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| OSY | Name: | 7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine | Formula: | C17 H17 N3 | SMILES: | NCc1ccc(cc1)c2ccc3c(C)cc(N)nc3c2 | InChi: | InChI=1S/C17H17N3/c1-11-8-17(19)20-16-9-14(6-7-15(11)16)13-4-2-12(10-18)3-5-13/h2-9H,10,18H2,1H3,(H2,19,20) | Definition date: | 2019-07-03 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-[4-(aminomethyl)phenyl]-4-methylquinolin-2-amine |
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| OT4 | Name: | 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine | Formula: | C18 H19 N3 | SMILES: | NCCc1cccc(c1)c2cc3c(cc2)c(cc(N)n3)C | InChi: | InChI=1S/C18H19N3/c1-12-9-18(20)21-17-11-15(5-6-16(12)17)14-4-2-3-13(10-14)7-8-19/h2-6,9-11H,7-8,19H2,1H3,(H2,20,21) | Definition date: | 2019-07-03 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-[3-(2-aminoethyl)phenyl]-4-methylquinolin-2-amine |
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| OU1 | Name: | 7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine | Formula: | C21 H23 N3 O | SMILES: | c1(N)nc2c(c(c1)C)ccc(c2)c3cc(c(cc3)OCC4CC4)CN | InChi: | InChI=1S/C21H23N3O/c1-13-8-21(23)24-19-10-16(4-6-18(13)19)15-5-7-20(17(9-15)11-22)25-12-14-2-3-14/h4-10,14H,2-3,11-12,22H2,1H3,(H2,23,24) | Definition date: | 2019-07-03 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-[3-(aminomethyl)-4-(cyclopropylmethoxy)phenyl]-4-methylquinolin-2-amine |
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| OU4 | Name: | 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine | Formula: | C21 H20 N4 O2 | SMILES: | c1(N)nc2c(c(c1)C)ccc(c2)c4ccc(OCc3ncoc3)c(CN)c4 | InChi: | InChI=1S/C21H20N4O2/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)27-11-17-10-26-12-24-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25) | Definition date: | 2019-07-03 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-{3-(aminomethyl)-4-[(1,3-oxazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine |
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| OU7 | Name: | 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine | Formula: | C21 H20 N4 O S | SMILES: | c21nc(N)cc(c1ccc(c2)c4ccc(OCc3cncs3)c(CN)c4)C | InChi: | InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-11-17-10-24-12-27-17/h2-8,10,12H,9,11,22H2,1H3,(H2,23,25) | Definition date: | 2019-07-03 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-{3-(aminomethyl)-4-[(1,3-thiazol-5-yl)methoxy]phenyl}-4-methylquinolin-2-amine |
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| OUG | Name: | 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine | Formula: | C17 H17 N3 | SMILES: | c31c(c(C)cc(N)n1)ccc(c2cc(ccc2)CN)c3 | InChi: | InChI=1S/C17H17N3/c1-11-7-17(19)20-16-9-14(5-6-15(11)16)13-4-2-3-12(8-13)10-18/h2-9H,10,18H2,1H3,(H2,19,20) | Definition date: | 2019-07-03 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-[3-(aminomethyl)phenyl]-4-methylquinolin-2-amine |
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| OUJ | Name: | 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine | Formula: | C21 H20 N4 O S | SMILES: | c1c(cc(CN)c(c1)OCc2cscn2)c4ccc3c(cc(nc3c4)N)C | InChi: | InChI=1S/C21H20N4OS/c1-13-6-21(23)25-19-8-15(2-4-18(13)19)14-3-5-20(16(7-14)9-22)26-10-17-11-27-12-24-17/h2-8,11-12H,9-10,22H2,1H3,(H2,23,25) | Definition date: | 2019-07-05 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-{3-(aminomethyl)-4-[(1,3-thiazol-4-yl)methoxy]phenyl}-4-methylquinolin-2-amine |
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| OUM | Name: | 4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile | Formula: | C25 H22 N4 O | SMILES: | c21c(c(cc(n1)N)C)ccc(c2)c3ccc(c(CN)c3)OCc4ccc(cc4)C#N | InChi: | InChI=1S/C25H22N4O/c1-16-10-25(28)29-23-12-20(6-8-22(16)23)19-7-9-24(21(11-19)14-27)30-15-18-4-2-17(13-26)3-5-18/h2-12H,14-15,27H2,1H3,(H2,28,29) | Definition date: | 2019-07-05 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 4-{[2-(aminomethyl)-4-(2-amino-4-methylquinolin-7-yl)phenoxy]methyl}benzonitrile |
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| OUP | Name: | 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine | Formula: | C22 H25 N3 O | SMILES: | c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCC4CCC4)CN)N | InChi: | InChI=1S/C22H25N3O/c1-14-9-22(24)25-20-11-17(5-7-19(14)20)16-6-8-21(18(10-16)12-23)26-13-15-3-2-4-15/h5-11,15H,2-4,12-13,23H2,1H3,(H2,24,25) | Definition date: | 2019-07-05 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-[3-(aminomethyl)-4-(cyclobutylmethoxy)phenyl]-4-methylquinolin-2-amine |
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| OUS | Name: | 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine | Formula: | C23 H22 N4 O | SMILES: | c2(cc(C)c1ccc(cc1n2)c3cc(c(cc3)OCc4cnccc4)CN)N | InChi: | InChI=1S/C23H22N4O/c1-15-9-23(25)27-21-11-18(4-6-20(15)21)17-5-7-22(19(10-17)12-24)28-14-16-3-2-8-26-13-16/h2-11,13H,12,14,24H2,1H3,(H2,25,27) | Definition date: | 2019-07-05 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 7-{3-(aminomethyl)-4-[(pyridin-3-yl)methoxy]phenyl}-4-methylquinolin-2-amine |
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| P3E | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate | Formula: | C28 H36 N10 O18 P3 | SMILES: | Cc1cccc(Cn2c[n+]([CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6C(=O)NC(=Nc56)N)[CH](O)[CH]3O)c7N=C(N)NC(=O)c27)c1 | InChi: | InChI=1S/C28H35N10O18P3/c1-11-3-2-4-12(5-11)6-36-10-38(22-16(36)24(44)35-28(30)33-22)26-20(42)18(40)14(54-26)8-52-58(47,48)56-59(49,50)55-57(45,46)51-7-13-17(39)19(41)25(53-13)37-9-31-15-21(37)32-27(29)34-23(15)43/h2-5,9-10,13-14,17-20,25-26,39-42H,6-8H2,1H3,(H8-,29,30,32,33,34,35,43,44,45,46,47,48,49,50)/p+1/t13-,14-,17-,18-,19-,20-,25-,26-/m1/s1 | Definition date: | 2020-04-14 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2-azanyl-7-[(3-methylphenyl)methyl]-6-oxidanylidene-1~{H}-purin-9-ium-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [[(2~{R},3~{S},4~{R},5~{R})-5-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate |
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| N2Z | Name: | 3-(2-chlorophenyl)-4~{H}-1,2,4-triazole | Formula: | C8 H6 Cl N3 | SMILES: | Clc1ccccc1c2[nH]cnn2 | InChi: | InChI=1S/C8H6ClN3/c9-7-4-2-1-3-6(7)8-10-5-11-12-8/h1-5H,(H,10,11,12) | Definition date: | 2019-11-11 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 3-(2-chlorophenyl)-4~{H}-1,2,4-triazole |
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| N3Q | Name: | 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol | Formula: | C12 H14 Cl2 N4 O2 | SMILES: | OCCN(CCO)c1cc(Cl)c(c(Cl)c1)c2[nH]cnn2 | InChi: | InChI=1S/C12H14Cl2N4O2/c13-9-5-8(18(1-3-19)2-4-20)6-10(14)11(9)12-15-7-16-17-12/h5-7,19-20H,1-4H2,(H,15,16,17) | Definition date: | 2019-11-11 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 2-[[3,5-bis(chloranyl)-4-(4~{H}-1,2,4-triazol-3-yl)phenyl]-(2-hydroxyethyl)amino]ethanol |
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| N3W | Name: | 2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline | Formula: | C8 H7 Cl N4 | SMILES: | Nc1cccc(c1Cl)c2[nH]cnn2 | InChi: | InChI=1S/C8H7ClN4/c9-7-5(2-1-3-6(7)10)8-11-4-12-13-8/h1-4H,10H2,(H,11,12,13) | Definition date: | 2019-11-11 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 2-chloranyl-3-(4~{H}-1,2,4-triazol-3-yl)aniline |
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| N51 | Name: | 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide | Formula: | C31 H29 N7 O2 | SMILES: | N(C([C@H]=CCN(C)C)=O)c1ccc(cc1)C(=O)Nc5cc(Nc2cc(ncn2)c4cnc3c4cccc3)ccc5 | InChi: | InChI=1S/C31H29N7O2/c1-38(2)16-6-11-30(39)36-22-14-12-21(13-15-22)31(40)37-24-8-5-7-23(17-24)35-29-18-28(33-20-34-29)26-19-32-27-10-4-3-9-25(26)27/h3-15,17-20,32H,16H2,1-2H3,(H,36,39)(H,37,40)(H,33,34,35)/b11-6+ | Definition date: | 2019-05-02 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 4-{[(2E)-4-(dimethylamino)but-2-enoyl]amino}-N-(3-{[6-(1H-indol-3-yl)pyrimidin-4-yl]amino}phenyl)benzamide |
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| NE5 | Name: | 5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid | Formula: | C24 H16 N2 O8 | SMILES: | OC(=O)c1cc(ccc1O)N2[CH](c3ccc(cc3)[N+](=O)=O)C(=C(O)C2=O)C(=O)c4ccccc4 | InChi: | InChI=1S/C24H16N2O8/c27-18-11-10-16(12-17(18)24(31)32)25-20(13-6-8-15(9-7-13)26(33)34)19(22(29)23(25)30)21(28)14-4-2-1-3-5-14/h1-12,20,27,29H,(H,31,32)/q+1/t20-/m1/s1 | Definition date: | 2019-11-26 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 5-[(2~{R})-2-(4-nitrophenyl)-4-oxidanyl-5-oxidanylidene-3-(phenylcarbonyl)-2~{H}-pyrrol-1-yl]-2-oxidanyl-benzoic acid |
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| LUS | Name: | 4-(4-ethylcyclohexyl)morpholine | Formula: | C12 H23 N O | SMILES: | CC[CH]1CC[CH](CC1)N2CCOCC2 | InChi: | InChI=1S/C12H23NO/c1-2-11-3-5-12(6-4-11)13-7-9-14-10-8-13/h11-12H,2-10H2,1H3/t11-,12- | Definition date: | 2019-03-15 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 4-(4-ethylcyclohexyl)morpholine |
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| LVP | Name: | ~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide | Formula: | C10 H8 F N3 O2 | SMILES: | Fc1ccccc1NNC(=O)c2oncc2 | InChi: | InChI=1S/C10H8FN3O2/c11-7-3-1-2-4-8(7)13-14-10(15)9-5-6-12-16-9/h1-6,13H,(H,14,15) | Definition date: | 2019-03-15 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | ~{N}'-(2-fluorophenyl)-1,2-oxazole-5-carbohydrazide |
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| LWD | Name: | ~{N}-quinolin-6-ylbenzamide | Formula: | C16 H12 N2 O | SMILES: | O=C(Nc1ccc2ncccc2c1)c3ccccc3 | InChi: | InChI=1S/C16H12N2O/c19-16(12-5-2-1-3-6-12)18-14-8-9-15-13(11-14)7-4-10-17-15/h1-11H,(H,18,19) | Definition date: | 2019-03-15 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | ~{N}-quinolin-6-ylbenzamide |
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| LWV | Name: | 2-morpholin-4-ylaniline | Formula: | C10 H14 N2 O | SMILES: | Nc1ccccc1N2CCOCC2 | InChi: | InChI=1S/C10H14N2O/c11-9-3-1-2-4-10(9)12-5-7-13-8-6-12/h1-4H,5-8,11H2 | Definition date: | 2019-03-15 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 2-morpholin-4-ylaniline |
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| LX4 | Name: | 4-cyclopentylcarbonylpiperazin-2-one | Formula: | C10 H16 N2 O2 | SMILES: | O=C1CN(CCN1)C(=O)C2CCCC2 | InChi: | InChI=1S/C10H16N2O2/c13-9-7-12(6-5-11-9)10(14)8-3-1-2-4-8/h8H,1-7H2,(H,11,13) | Definition date: | 2019-03-15 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | 4-cyclopentylcarbonylpiperazin-2-one |
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| LXJ | Name: | (3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one | Formula: | C15 H16 N2 O2 | SMILES: | O=C1NC[CH]2C=CN(CC[CH]12)C(=O)c3ccccc3 | InChi: | InChI=1S/C15H16N2O2/c18-14-13-7-9-17(8-6-12(13)10-16-14)15(19)11-4-2-1-3-5-11/h1-6,8,12-13H,7,9-10H2,(H,16,18)/t12-,13+/m1/s1 | Definition date: | 2019-03-15 | Last modified: | 2020-04-24 | Release date: | 2020-04-29 | Identifier: | (3~{a}~{S},8~{a}~{S})-6-(phenylcarbonyl)-2,3,3~{a},7,8,8~{a}-hexahydropyrrolo[3,4-d]azepin-1-one |
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