 | | 5D8 | | Name: | ethyl 2-(2-{2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate | | Formula: | C18 H23 N7 O3 S2 | | SMILES: | c1c(nc(C(CCCN/C(N)=N)N)s1)c3oc(c(c2nc(cs2)C(=O)OCC)n3)C | | InChi: | InChI=1S/C18H23N7O3S2/c1-3-27-17(26)12-8-30-16(24-12)13-9(2)28-14(25-13)11-7-29-15(23-11)10(19)5-4-6-22-18(20)21/h7-8,10H,3-6,19H2,1-2H3,(H4,20,21,22)/t10-/m0/s1 | | Definition date: | 2015-09-08 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | ethyl 2-(2-{2-[(1S)-1-amino-4-carbamimidamidobutyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate |
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 | | 5D9 | | Name: | ethyl 2-(2-{2-[(1S)-4-carbamimidamido-1-(methylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate | | Formula: | C19 H25 N7 O3 S2 | | SMILES: | O=C(c1nc(sc1)c2nc(oc2C)c3csc(n3)C(CCCN/C(N)=N)NC)OCC | | InChi: | InChI=1S/C19H25N7O3S2/c1-4-28-18(27)13-9-31-17(25-13)14-10(2)29-15(26-14)12-8-30-16(24-12)11(22-3)6-5-7-23-19(20)21/h8-9,11,22H,4-7H2,1-3H3,(H4,20,21,23)/t11-/m0/s1 | | Definition date: | 2015-09-08 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | ethyl 2-(2-{2-[(1S)-4-carbamimidamido-1-(methylamino)butyl]-1,3-thiazol-4-yl}-5-methyl-1,3-oxazol-4-yl)-1,3-thiazole-4-carboxylate |
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 | | 5DA | | Name: | 1-[(4S)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine | | Formula: | C24 H27 N9 O3 S2 | | SMILES: | N=C(/N)NCCCC(c1scc(n1)c2nc(c(o2)C)c3scc(n3)c4nc(c(o4)C)c5oc(cn5)C)NC | | InChi: | InChI=1S/C24H27N9O3S2/c1-11-8-29-21(34-11)17-12(2)35-19(32-17)16-10-38-23(31-16)18-13(3)36-20(33-18)15-9-37-22(30-15)14(27-4)6-5-7-28-24(25)26/h8-10,14,27H,5-7H2,1-4H3,(H4,25,26,28)/t14-/m0/s1 | | Definition date: | 2015-09-08 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 1-[(4S)-4-(4-{4-[4-(5,5'-dimethyl-2,4'-bi-1,3-oxazol-2'-yl)-1,3-thiazol-2-yl]-5-methyl-1,3-oxazol-2-yl}-1,3-thiazol-2-yl)-4-(methylamino)butyl]guanidine |
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 | | 4UQ | | Name: | 6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide | | Formula: | C33 H40 N6 O4 | | SMILES: | c1(ccc(cc1)Nc4nc(N2CC(CCC2)NC(c3ccc(cc3)C(C)(C)C)=O)ccc4C(N)=O)C(=O)N5CCOCC5 | | InChi: | InChI=1S/C33H40N6O4/c1-33(2,3)24-10-6-22(7-11-24)31(41)36-26-5-4-16-39(21-26)28-15-14-27(29(34)40)30(37-28)35-25-12-8-23(9-13-25)32(42)38-17-19-43-20-18-38/h6-15,26H,4-5,16-21H2,1-3H3,(H2,34,40)(H,35,37)(H,36,41)/t26-/m1/s1 | | Definition date: | 2015-06-01 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 6-{(3R)-3-[(4-tert-butylbenzoyl)amino]piperidin-1-yl}-2-{[4-(morpholin-4-ylcarbonyl)phenyl]amino}pyridine-3-carboxamide |
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 | | 4US | | Name: | 4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide | | Formula: | C25 H23 Cl N4 O2 | | SMILES: | c2cc(C(=O)N1CCN(CC1)C)cc3nc5c(c23)c(c4c(cccc4)Cl)ccc5C(=O)N | | InChi: | InChI=1S/C25H23ClN4O2/c1-29-10-12-30(13-11-29)25(32)15-6-7-18-21(14-15)28-23-19(24(27)31)9-8-17(22(18)23)16-4-2-3-5-20(16)26/h2-9,14,28H,10-13H2,1H3,(H2,27,31) | | Definition date: | 2015-06-01 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 4-(2-chlorophenyl)-7-[(4-methylpiperazin-1-yl)carbonyl]-9H-carbazole-1-carboxamide |
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 | | 4X7 | | Name: | (2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid | | Formula: | C10 H16 N5 O6 P | | SMILES: | c12c(C(=O)NC(N)=N1)ncn2CC(OCCP(O)(O)=O)CO | | InChi: | InChI=1S/C10H16N5O6P/c11-10-13-8-7(9(17)14-10)12-5-15(8)3-6(4-16)21-1-2-22(18,19)20/h5-6,16H,1-4H2,(H2,18,19,20)(H3,11,13,14,17)/t6-/m0/s1 | | Definition date: | 2015-06-16 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | (2-{[(2S)-1-(2-amino-6-oxo-1,6-dihydro-9H-purin-9-yl)-3-hydroxypropan-2-yl]oxy}ethyl)phosphonic acid |
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 | | 4YA | | Name: | hexyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside | | Formula: | C18 H34 O10 | | SMILES: | C1(C(O)C(O)C(O)C(O1)C)OC2C(OCCCCCC)OC(CO)C(C2O)O | | InChi: | InChI=1S/C18H34O10/c1-3-4-5-6-7-25-18-16(14(23)12(21)10(8-19)27-18)28-17-15(24)13(22)11(20)9(2)26-17/h9-24H,3-8H2,1-2H3/t9-,10+,11+,12-,13+,14-,15-,16+,17-,18+/m0/s1 | | Definition date: | 2015-06-22 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | hexyl 2-O-(6-deoxy-alpha-L-galactopyranosyl)-beta-D-galactopyranoside |
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 | | 4YH | | Name: | (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile | | Formula: | C27 H38 N2 O4 | | SMILES: | COc1c(OC)ccc(c1)C(C(C)C)(C#N)CCCN(C)CCc2ccc(OC)c(c2)OC | | InChi: | InChI=1S/C27H38N2O4/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6/h9-12,17-18,20H,8,13-16H2,1-7H3/t27-/m0/s1 | | Definition date: | 2015-06-24 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | (2S)-2-(3,4-dimethoxyphenyl)-5-{[2-(3,4-dimethoxyphenyl)ethyl](methyl)amino}-2-(propan-2-yl)pentanenitrile |
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 | | PWU | | Name: | ISOPROPYL 6-((4-(1,2-DIMETHYL-1H-IMIDAZOL-5-YL)PHENYL)AMINO)-2-(1-METHYL-1H-PYRAZOL-4-YL)-1H-PYRROLO[3,2-C]PYRIDINE-1-CARBOXYLATE | | Formula: | C26 H27 N7 O2 | | SMILES: | CC(C)OC(=O)n1c2cc(Nc3ccc(cc3)c4cnc(C)n4C)ncc2cc1c5cnn(C)c5 | | InChi: | InChI=1S/C26H27N7O2/c1-16(2)35-26(34)33-22(20-13-29-31(4)15-20)10-19-12-28-25(11-23(19)33)30-21-8-6-18(7-9-21)24-14-27-17(3)32(24)5/h6-16H,1-5H3,(H,28,30) | | Definition date: | 2015-09-14 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | propan-2-yl 6-[[4-(2,3-dimethylimidazol-4-yl)phenyl]amino]-2-(1-methylpyrazol-4-yl)pyrrolo[3,2-c]pyridine-1-carboxylate |
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 | | 3K0 | | Name: | N-sulfamoyl-L-glutamic acid | | Formula: | C5 H10 N2 O6 S | | SMILES: | O=S(=O)(NC(C(=O)O)CCC(=O)O)N | | InChi: | InChI=1S/C5H10N2O6S/c6-14(12,13)7-3(5(10)11)1-2-4(8)9/h3,7H,1-2H2,(H,8,9)(H,10,11)(H2,6,12,13)/t3-/m0/s1 | | Definition date: | 2014-08-28 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | N-sulfamoyl-L-glutamic acid |
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 | | 3KN | | Name: | 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine | | Formula: | C7 H7 N5 S | | SMILES: | n2cc(c1nnc(s1)N)c(N)cc2 | | InChi: | InChI=1S/C7H7N5S/c8-5-1-2-10-3-4(5)6-11-12-7(9)13-6/h1-3H,(H2,8,10)(H2,9,12) | | Definition date: | 2014-09-05 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 3-(5-amino-1,3,4-thiadiazol-2-yl)pyridin-4-amine |
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 | | 3SW | | Name: | (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid | | Formula: | C24 H34 O2 | | SMILES: | O=C(O)C=C(C=CC=C(/C=C1/C(=C(CCC1)C2CC2)CCC(C)C)C)C | | InChi: | InChI=1S/C24H34O2/c1-17(2)11-14-23-21(9-6-10-22(23)20-12-13-20)15-18(3)7-5-8-19(4)16-24(25)26/h5,7-8,15-17,20H,6,9-14H2,1-4H3,(H,25,26)/b8-5+,18-7-,19-16+,21-15+ | | Definition date: | 2014-10-21 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | (2E,4E,6Z,8E)-8-[3-cyclopropyl-2-(3-methylbutyl)cyclohex-2-en-1-ylidene]-3,7-dimethylocta-2,4,6-trienoic acid |
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 | | 35W | | Name: | 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine | | Formula: | C21 H16 N6 | | SMILES: | n1ccc(cc1)c2nc5c(nc2)ncc5c3cn(nc3)Cc4ccccc4 | | InChi: | InChI=1S/C21H16N6/c1-2-4-15(5-3-1)13-27-14-17(10-25-27)18-11-23-21-20(18)26-19(12-24-21)16-6-8-22-9-7-16/h1-12,14H,13H2,(H,23,24) | | Definition date: | 2014-06-25 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 7-(1-benzyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine |
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 | | 35X | | Name: | 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine | | Formula: | C17 H16 N6 | | SMILES: | n1ccc(cc1)c3nc4c(c2cn(nc2)CCC)cnc4nc3 | | InChi: | InChI=1S/C17H16N6/c1-2-7-23-11-13(8-21-23)14-9-19-17-16(14)22-15(10-20-17)12-3-5-18-6-4-12/h3-6,8-11H,2,7H2,1H3,(H,19,20) | | Definition date: | 2014-06-25 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 7-(1-propyl-1H-pyrazol-4-yl)-2-(pyridin-4-yl)-5H-pyrrolo[2,3-b]pyrazine |
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 | | 363 | | Name: | 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine | | Formula: | C9 H7 N5 | | SMILES: | n1c3ccnc3ncc1c2cnnc2 | | InChi: | InChI=1S/C9H7N5/c1-2-10-9-7(1)14-8(5-11-9)6-3-12-13-4-6/h1-5H,(H,10,11)(H,12,13) | | Definition date: | 2014-06-25 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 2-(1H-pyrazol-4-yl)-5H-pyrrolo[2,3-b]pyrazine |
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 | | 36N | | Name: | 5H-pyrrolo[2,3-b]pyrazine | | Formula: | C6 H5 N3 | | SMILES: | n1c2c(ncc1)ccn2 | | InChi: | InChI=1S/C6H5N3/c1-2-8-6-5(1)7-3-4-9-6/h1-4H,(H,8,9) | | Definition date: | 2014-06-25 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 5H-pyrrolo[2,3-b]pyrazine |
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 | | 36O | | Name: | N-cyclohexyl-9H-purin-6-amine | | Formula: | C11 H15 N5 | | SMILES: | n2c1c(ncn1)c(nc2)NC3CCCCC3 | | InChi: | InChI=1S/C11H15N5/c1-2-4-8(5-3-1)16-11-9-10(13-6-12-9)14-7-15-11/h6-8H,1-5H2,(H2,12,13,14,15,16) | | Definition date: | 2014-06-25 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | N-cyclohexyl-9H-purin-6-amine |
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 | | 36Q | | Name: | (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol | | Formula: | C14 H15 N5 O | | SMILES: | n2c1c(ncn1)c(nc2)NC(Cc3ccccc3)CO | | InChi: | InChI=1S/C14H15N5O/c20-7-11(6-10-4-2-1-3-5-10)19-14-12-13(16-8-15-12)17-9-18-14/h1-5,8-9,11,20H,6-7H2,(H2,15,16,17,18,19)/t11-/m0/s1 | | Definition date: | 2014-06-25 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | (2S)-3-phenyl-2-(9H-purin-6-ylamino)propan-1-ol |
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 | | 36R | | Name: | 5-chloro-1,3-benzoxazol-2-amine | | Formula: | C7 H5 Cl N2 O | | SMILES: | Clc1cc2nc(oc2cc1)N | | InChi: | InChI=1S/C7H5ClN2O/c8-4-1-2-6-5(3-4)10-7(9)11-6/h1-3H,(H2,9,10) | | Definition date: | 2014-06-25 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 5-chloro-1,3-benzoxazol-2-amine |
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 | | T21 | | Name: | 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one | | Formula: | C14 H8 F3 N O2 | | SMILES: | C3=Cc2c(cc(c1cccc(C(F)(F)F)c1)o2)C(N3)=O | | InChi: | InChI=1S/C14H8F3NO2/c15-14(16,17)9-3-1-2-8(6-9)12-7-10-11(20-12)4-5-18-13(10)19/h1-7H,(H,18,19) | | Definition date: | 2015-03-04 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 2-[3-(trifluoromethyl)phenyl]furo[3,2-c]pyridin-4(5H)-one |
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 | | 4CV | | Name: | 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide | | Formula: | C17 H19 Br N6 O3 S | | SMILES: | c2(N1CCOCC1)ccc(S(NC)(=O)=O)cc2Nc4c3c(Br)cnc3ncn4 | | InChi: | InChI=1S/C17H19BrN6O3S/c1-19-28(25,26)11-2-3-14(24-4-6-27-7-5-24)13(8-11)23-17-15-12(18)9-20-16(15)21-10-22-17/h2-3,8-10,19H,4-7H2,1H3,(H2,20,21,22,23) | | Definition date: | 2015-02-28 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 3-[(5-bromo-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]-N-methyl-4-(morpholin-4-yl)benzenesulfonamide |
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 | | 4CW | | Name: | N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide | | Formula: | C12 H12 N6 O2 S | | SMILES: | N(c1cccc(c1)S(NC)(=O)=O)c2ncnc3c2ncn3 | | InChi: | InChI=1S/C12H12N6O2S/c1-13-21(19,20)9-4-2-3-8(5-9)18-12-10-11(15-6-14-10)16-7-17-12/h2-7,13H,1H3,(H2,14,15,16,17,18) | | Definition date: | 2015-02-28 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | N-methyl-3-(9H-purin-6-ylamino)benzenesulfonamide |
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 | | 4HJ | | Name: | O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine | | Formula: | C21 H32 N3 O11 P S | | SMILES: | NC(COP(O)(OCC(C)(C)C(C(NCCC(NCCSC(c1c(cccc1)O)=O)=O)=O)O)=O)C(=O)O | | InChi: | InChI=1S/C21H32N3O11PS/c1-21(2,12-35-36(32,33)34-11-14(22)19(29)30)17(27)18(28)24-8-7-16(26)23-9-10-37-20(31)13-5-3-4-6-15(13)25/h3-6,14,17,25,27H,7-12,22H2,1-2H3,(H,23,26)(H,24,28)(H,29,30)(H,32,33)/t14-,17-/m0/s1 | | Definition date: | 2015-09-08 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | O-[(R)-hydroxy{[(3R)-3-hydroxy-4-{[3-({2-[(2-hydroxybenzoyl)sulfanyl]ethyl}amino)-3-oxopropyl]amino}-2,2-dimethyl-4-oxobutyl]oxy}phosphoryl]-L-serine |
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 | | I37 | | Name: | 4-amino-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide | | Formula: | C16 H19 F N4 O2 | | SMILES: | O=C(NC1(C(=O)NCC#N)CCCCC1)c2ccc(N)c(F)c2 | | InChi: | InChI=1S/C16H19FN4O2/c17-12-10-11(4-5-13(12)19)14(22)21-16(6-2-1-3-7-16)15(23)20-9-8-18/h4-5,10H,1-3,6-7,9,19H2,(H,20,23)(H,21,22) | | Definition date: | 2014-12-08 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 4-amino-N-{1-[(cyanomethyl)carbamoyl]cyclohexyl}-3-fluorobenzamide |
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 | | IDQ | | Name: | 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine | | Formula: | C22 H25 N5 | | SMILES: | CCCCc1nc2c(N)nc3ccccc3c2n1Cc4ccc(CN)cc4 | | InChi: | InChI=1S/C22H25N5/c1-2-3-8-19-26-20-21(17-6-4-5-7-18(17)25-22(20)24)27(19)14-16-11-9-15(13-23)10-12-16/h4-7,9-12H,2-3,8,13-14,23H2,1H3,(H2,24,25) | | Definition date: | 2015-07-07 | | Last modified: | 2015-09-18 | | Release date: | 2015-09-23 | | Identifier: | 1-[[4-(aminomethyl)phenyl]methyl]-2-butyl-imidazo[4,5-c]quinolin-4-amine |
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