| 3D2 | Name: | N~2~-[3-(pyridin-3-yl)benzyl]-L-lysinamide | Formula: | C18 H24 N4 O | SMILES: | O=C(N)C(NCc2cc(c1cccnc1)ccc2)CCCCN | InChi: | InChI=1S/C18H24N4O/c19-9-2-1-8-17(18(20)23)22-12-14-5-3-6-15(11-14)16-7-4-10-21-13-16/h3-7,10-11,13,17,22H,1-2,8-9,12,19H2,(H2,20,23)/t17-/m0/s1 | Definition date: | 2014-07-28 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | N~2~-[3-(pyridin-3-yl)benzyl]-L-lysinamide |
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| 3D4 | Name: | N~2~-[4-(pyridin-3-yl)benzyl]-L-lysyl-N-[(1R,2S,3R)-1-{[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide | Formula: | C33 H45 N7 O5 | SMILES: | O=C(N)C(NC(O)C(NC(=O)CNC(=O)C(NCc2ccc(c1cccnc1)cc2)CCCCN)C(O)C)Cc3ccccc3 | InChi: | InChI=1S/C33H45N7O5/c1-22(41)30(33(45)39-28(31(35)43)18-23-8-3-2-4-9-23)40-29(42)21-38-32(44)27(11-5-6-16-34)37-19-24-12-14-25(15-13-24)26-10-7-17-36-20-26/h2-4,7-10,12-15,17,20,22,27-28,30,33,37,39,41,45H,5-6,11,16,18-19,21,34H2,1H3,(H2,35,43)(H,38,44)(H,40,42)/t22-,27+,28-,30+,33-/m1/s1 | Definition date: | 2014-07-28 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | N~2~-[4-(pyridin-3-yl)benzyl]-L-lysyl-N-[(1R,2S,3R)-1-{[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino}-1,3-dihydroxybutan-2-yl]glycinamide |
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| 3D5 | Name: | N~2~-[4-(pyridin-3-yl)benzyl]-D-lysinamide | Formula: | C18 H24 N4 O | SMILES: | O=C(N)C(NCc2ccc(c1cccnc1)cc2)CCCCN | InChi: | InChI=1S/C18H24N4O/c19-10-2-1-5-17(18(20)23)22-12-14-6-8-15(9-7-14)16-4-3-11-21-13-16/h3-4,6-9,11,13,17,22H,1-2,5,10,12,19H2,(H2,20,23)/t17-/m1/s1 | Definition date: | 2014-07-28 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | N~2~-[4-(pyridin-3-yl)benzyl]-D-lysinamide |
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| 3D6 | Name: | N~2~-[4-(pyridin-3-yl)benzyl]-L-lysinamide | Formula: | C18 H24 N4 O | SMILES: | O=C(N)C(NCc2ccc(c1cccnc1)cc2)CCCCN | InChi: | InChI=1S/C18H24N4O/c19-10-2-1-5-17(18(20)23)22-12-14-6-8-15(9-7-14)16-4-3-11-21-13-16/h3-4,6-9,11,13,17,22H,1-2,5,10,12,19H2,(H2,20,23)/t17-/m0/s1 | Definition date: | 2014-07-28 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | N~2~-[4-(pyridin-3-yl)benzyl]-L-lysinamide |
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| ONR | Name: | 4-chloro-2-isoxazol-5-yl-phenol | Formula: | C9 H6 Cl N O2 | SMILES: | Oc1ccc(Cl)cc1c2oncc2 | InChi: | InChI=1S/C9H6ClNO2/c10-6-1-2-8(12)7(5-6)9-3-4-11-13-9/h1-5,12H | Definition date: | 2015-03-09 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | 4-chloranyl-2-(1,2-oxazol-5-yl)phenol |
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| 2WX | Name: | N-[(R)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide | Formula: | C24 H20 Cl N O4 S2 | SMILES: | Clc1ccccc1C(c3sc2ccccc2c3)NS(=O)(=O)c5cc4OCCCOc4cc5 | InChi: | InChI=1S/C24H20ClNO4S2/c25-19-8-3-2-7-18(19)24(23-14-16-6-1-4-9-22(16)31-23)26-32(27,28)17-10-11-20-21(15-17)30-13-5-12-29-20/h1-4,6-11,14-15,24,26H,5,12-13H2/t24-/m1/s1 | Definition date: | 2014-03-24 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | N-[(R)-1-benzothiophen-2-yl(2-chlorophenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide |
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| 2WY | Name: | N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide | Formula: | C24 H21 N O5 S | SMILES: | O=S(=O)(c2cc1OCCCOc1cc2)NC(c4oc3ccccc3c4)c5ccccc5 | InChi: | InChI=1S/C24H21NO5S/c26-31(27,19-11-12-21-22(16-19)29-14-6-13-28-21)25-24(17-7-2-1-3-8-17)23-15-18-9-4-5-10-20(18)30-23/h1-5,7-12,15-16,24-25H,6,13-14H2/t24-/m1/s1 | Definition date: | 2014-03-24 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | N-[(R)-1-benzofuran-2-yl(phenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-7-sulfonamide |
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| 2WZ | Name: | N-[(R)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide | Formula: | C25 H24 Cl F N4 O3 S2 | SMILES: | Fc1c(ncc(Cl)c1C(c3sc2c(cccc2c3)c4nccc(c4)C(O)(C)C)NS(=O)(=O)C5CC5)N | InChi: | InChI=1S/C25H24ClFN4O3S2/c1-25(2,32)14-8-9-29-18(11-14)16-5-3-4-13-10-19(35-23(13)16)22(31-36(33,34)15-6-7-15)20-17(26)12-30-24(28)21(20)27/h3-5,8-12,15,22,31-32H,6-7H2,1-2H3,(H2,28,30)/t22-/m0/s1 | Definition date: | 2014-03-24 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | N-[(R)-(2-amino-5-chloro-3-fluoropyridin-4-yl){7-[4-(2-hydroxypropan-2-yl)pyridin-2-yl]-1-benzothiophen-2-yl}methyl]cyclopropanesulfonamide |
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| 9XZ | Name: | 3-(2-methyltetrazol-5-yl)-5-(3-thienyl)pyridin-2-amine | Formula: | C11 H10 N6 S | SMILES: | Cn1nnc(n1)c2cc(cnc2N)c3cscc3 | InChi: | InChI=1S/C11H10N6S/c1-17-15-11(14-16-17)9-4-8(5-13-10(9)12)7-2-3-18-6-7/h2-6H,1H3,(H2,12,13) | Definition date: | 2015-03-08 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | 3-(2-methyl-1,2,3,4-tetrazol-5-yl)-5-thiophen-3-yl-pyridin-2-amine |
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| QYD | Name: | N-(4-NITROPHENYL)-2-PHENYL-THIOMORPHOLINE-4-CARBOXAMIDE | Formula: | C17 H17 N3 O3 S | SMILES: | [O-][N+](=O)c1ccc(NC(=O)N2CCS[CH](C2)c3ccccc3)cc1 | InChi: | InChI=1S/C17H17N3O3S/c21-17(18-14-6-8-15(9-7-14)20(22)23)19-10-11-24-16(12-19)13-4-2-1-3-5-13/h1-9,16H,10-12H2,(H,18,21)/t16-/m1/s1 | Definition date: | 2015-03-08 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | (2S)-N-(4-nitrophenyl)-2-phenyl-thiomorpholine-4-carboxamide |
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| R4N | Name: | 4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide | Formula: | C25 H21 Cl N2 O4 S | SMILES: | Clc1cccc(CN2C(=O)CSc3ccc(cc23)C(=O)NC[CH]4COc5ccccc5O4)c1 | InChi: | InChI=1S/C25H21ClN2O4S/c26-18-5-3-4-16(10-18)13-28-20-11-17(8-9-23(20)33-15-24(28)29)25(30)27-12-19-14-31-21-6-1-2-7-22(21)32-19/h1-11,19H,12-15H2,(H,27,30)/t19-/m0/s1 | Definition date: | 2015-03-08 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | 4-[(3-chlorophenyl)methyl]-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-oxidanylidene-1,4-benzothiazine-6-carboxamide |
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| 3J1 | Name: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one | Formula: | C19 H16 N4 O2 | SMILES: | O=C1c4cccc(c4N=C(N1)c3ccc(c2cn(nc2)C)cc3)CO | InChi: | InChI=1S/C19H16N4O2/c1-23-10-15(9-20-23)12-5-7-13(8-6-12)18-21-17-14(11-24)3-2-4-16(17)19(25)22-18/h2-10,24H,11H2,1H3,(H,21,22,25) | Definition date: | 2014-08-21 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | 8-(hydroxymethyl)-2-[4-(1-methyl-1H-pyrazol-4-yl)phenyl]quinazolin-4(3H)-one |
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| 3J5 | Name: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one | Formula: | C27 H29 N5 O2 | SMILES: | O=C1c5cccc(c5N=C(N1)c2ccc(cc2)c3c(cc(nc3)N4CC(N(C)CC4)C)C)CO | InChi: | InChI=1S/C27H29N5O2/c1-17-13-24(32-12-11-31(3)18(2)15-32)28-14-23(17)19-7-9-20(10-8-19)26-29-25-21(16-33)5-4-6-22(25)27(34)30-26/h4-10,13-14,18,33H,11-12,15-16H2,1-3H3,(H,29,30,34)/t18-/m0/s1 | Definition date: | 2014-08-22 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | 2-(4-{6-[(3S)-3,4-dimethylpiperazin-1-yl]-4-methylpyridin-3-yl}phenyl)-8-(hydroxymethyl)quinazolin-4(3H)-one |
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| RH2 | Name: | N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide | Formula: | C16 H22 N4 O S | SMILES: | NC(C(NCc1sc(cc1)c2cccnc2)CCCCN)=O | InChi: | InChI=1S/C16H22N4OS/c17-8-2-1-5-14(16(18)21)20-11-13-6-7-15(22-13)12-4-3-9-19-10-12/h3-4,6-7,9-10,14,20H,1-2,5,8,11,17H2,(H2,18,21)/t14-/m0/s1 | Definition date: | 2014-07-28 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | N~2~-{[5-(pyridin-3-yl)thiophen-2-yl]methyl}-L-lysinamide |
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| 3MV | Name: | (3R,5R)-3-ethyl-2,5-dimethylheptane | Formula: | C11 H24 | SMILES: | CCC(CC(CC)C)C(C)C | InChi: | InChI=1S/C11H24/c1-6-10(5)8-11(7-2)9(3)4/h9-11H,6-8H2,1-5H3/t10-,11-/m1/s1 | Definition date: | 2014-09-24 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | (3R,5R)-3-ethyl-2,5-dimethylheptane |
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| RKM | Name: | (11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium | Formula: | C39 H24 N12 Ru | SMILES: | n3c2ccc1nccnc1c2n(cc3)[Ru]9(n5c4c8c(c6nc7c(nc6c4ccc5)ccc(c7)C)cccn89)nccc(nccn)cccncc | InChi: | InChI=1S/C19H12N4.2C10H6N4.Ru/c1-11-6-7-14-15(10-11)23-19-13-5-3-9-21-17(13)16-12(18(19)22-14)4-2-8-20-16 | Definition date: | 2014-11-25 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | (11-methyldipyrido[3,2-a:2',3'-c]phenazine-kappa~2~N~4~,N~5~)[bis(pyrazino[2,3-f]quinoxaline-kappa~2~N~1~,N~10~)]ruthenium |
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| 6N0 | Name: | N-(5,5-dioxodibenzothiophen-2-yl)-4,4-difluoro-piperidine-1-carboxamide | Formula: | C18 H16 F2 N2 O3 S | SMILES: | FC1(F)CCN(CC1)C(=O)Nc2ccc3c(c2)c4ccccc4[S]3(=O)=O | InChi: | InChI=1S/C18H16F2N2O3S/c19-18(20)7-9-22(10-8-18)17(23)21-12-5-6-16-14(11-12)13-3-1-2-4-15(13)26(16,24)25/h1-6,11H,7-10H2,(H,21,23) | Definition date: | 2015-03-03 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | N-[5,5-bis(oxidanylidene)dibenzothiophen-2-yl]-4,4-bis(fluoranyl)piperidine-1-carboxamide |
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| 6N4 | Name: | 2-(1H-BENZIMIDAZOL-2-YLSULFANYL)ETHANOL | Formula: | C9 H10 N2 O S | SMILES: | OCCSc1[nH]c2ccccc2n1 | InChi: | InChI=1S/C9H10N2OS/c12-5-6-13-9-10-7-3-1-2-4-8(7)11-9/h1-4,12H,5-6H2,(H,10,11) | Definition date: | 2015-03-03 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | 2-(1H-benzimidazol-2-ylsulfanyl)ethanol |
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| 6N6 | Name: | 5-(2-thienyl)-1,3,4-thiadiazol-2-amine | Formula: | C6 H5 N3 S2 | SMILES: | Nc1sc(nn1)c2sccc2 | InChi: | InChI=1S/C6H5N3S2/c7-6-9-8-5(11-6)4-2-1-3-10-4/h1-3H,(H2,7,9) | Definition date: | 2015-03-04 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | 5-thiophen-2-yl-1,3,4-thiadiazol-2-amine |
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| 6N8 | Name: | N-(3,3-DIPHENYLPROPYL)PYRROLIDINE-1-CARBOXAMIDE | Formula: | C20 H20 N2 O | SMILES: | O=C(NCCC(c1ccccc1)c2ccccc2)n3cccc3 | InChi: | InChI=1S/C20H20N2O/c23-20(22-15-7-8-16-22)21-14-13-19(17-9-3-1-4-10-17)18-11-5-2-6-12-18/h1-12,15-16,19H,13-14H2,(H,21,23) | Definition date: | 2015-03-03 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | N-(3,3-diphenylpropyl)pyrrole-1-carboxamide |
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| 6NF | Name: | N-(CYCLOHEXYLMETHYL)-3-(4-PYRIDYL)-1H-PYRAZOL-5-AMINE | Formula: | C15 H20 N4 | SMILES: | C1CCC(CC1)CNc2cc([nH]n2)c3ccncc3 | InChi: | InChI=1S/C15H20N4/c1-2-4-12(5-3-1)11-17-15-10-14(18-19-15)13-6-8-16-9-7-13/h6-10,12H,1-5,11H2,(H2,17,18,19) | Definition date: | 2015-03-03 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | N-(cyclohexylmethyl)-5-pyridin-4-yl-1H-pyrazol-3-amine |
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| 6NJ | Name: | 3-(2-phenylethyl)-1H-indazole | Formula: | C15 H14 N2 | SMILES: | C(Cc1n[nH]c2ccccc12)c3ccccc3 | InChi: | InChI=1S/C15H14N2/c1-2-6-12(7-3-1)10-11-15-13-8-4-5-9-14(13)16-17-15/h1-9H,10-11H2,(H,16,17) | Definition date: | 2015-03-05 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | 3-(2-phenylethyl)-1H-indazole |
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| 6NM | Name: | 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine | Formula: | C15 H10 F3 N3 | SMILES: | FC(F)(F)c1cccc(c1)c2[nH]ncc2c3ccncc3 | InChi: | InChI=1S/C15H10F3N3/c16-15(17,18)12-3-1-2-11(8-12)14-13(9-20-21-14)10-4-6-19-7-5-10/h1-9H,(H,20,21) | Definition date: | 2015-03-03 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | 4-[5-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl]pyridine |
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| 6NZ | Name: | 5-cyclohexyl-3-propyl-1H-pyridin-2-one | Formula: | C14 H21 N O | SMILES: | CCCC1=CC(=CNC1=O)C2CCCCC2 | InChi: | InChI=1S/C14H21NO/c1-2-6-12-9-13(10-15-14(12)16)11-7-4-3-5-8-11/h9-11H,2-8H2,1H3,(H,15,16) | Definition date: | 2015-03-09 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | 5-cyclohexyl-3-propyl-1H-pyridin-2-one |
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| 6TZ | Name: | 3-(3-fluorophenyl)-1H-pyrazole | Formula: | C9 H7 F N2 | SMILES: | Fc1cccc(c1)c2cc[nH]n2 | InChi: | InChI=1S/C9H7FN2/c10-8-3-1-2-7(6-8)9-4-5-11-12-9/h1-6H,(H,11,12) | Definition date: | 2015-03-09 | Last modified: | 2015-05-08 | Release date: | 2015-05-13 | Identifier: | 3-(3-fluorophenyl)-1H-pyrazole |
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