 | | HZ8 | | Name: | ~{N}4-ethyl-~{N}2,~{N}4-dimethyl-~{N}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine | | Formula: | C18 H27 N5 | | SMILES: | CCN(C)c1nc(nc2ccccc12)N(C)C3CCN(C)CC3 | | InChi: | InChI=1S/C18H27N5/c1-5-22(3)17-15-8-6-7-9-16(15)19-18(20-17)23(4)14-10-12-21(2)13-11-14/h6-9,14H,5,10-13H2,1-4H3 | | Definition date: | 2019-01-04 | | Last modified: | 2020-05-01 | | Release date: | 2020-05-06 | | Identifier: | ~{N}4-ethyl-~{N}2,~{N}4-dimethyl-~{N}2-(1-methylpiperidin-4-yl)quinazoline-2,4-diamine |
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 | | K9K | | Name: | (10aR)-2-(((1r,4R)-4-((2-aminoethyl)amino)cyclohexyl)methyl)-6-carboxy-4-hydroxy-4,10a-dihydro-10H-benzo[5,6][1,2]oxaborinino[2,3-b][1,4,2]oxazaborol-4-uide | | Formula: | C19 H27 B N3 O5 | | SMILES: | NCCN[CH]1CC[CH](CC1)CC2=N[CH]3Cc4cccc(C(O)=O)c4O[B-]3(O)O2 | | InChi: | InChI=1S/C19H27BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17-23-16-11-13-2-1-3-15(19(24)25)18(13)28-20(16,26)27-17/h1-3,12,14,16,22,26H,4-11,21H2,(H,24,25)/q-1/t12-,14-,16-,20-/m0/s1 | | Definition date: | 2019-05-08 | | Last modified: | 2020-04-30 | | Release date: | 2019-09-11 | | Identifier: | (7~{R})-5-[[4-(2-azanylethylamino)cyclohexyl]methyl]-3-oxidanyl-2,4-dioxa-6-aza-3-boranuidatricyclo[7.4.0.0^{3,7}]trideca-1(13),5,9,11-tetraene-13-carboxylic acid |
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 | | T9A | | Name: | (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one | | Formula: | C23 H21 Br N2 O2 S | | SMILES: | c1c(C)cc(C)cc1C3c4cc(C)ccc4NC(CN3C(=O)c2ccc(s2)Br)=O | | InChi: | InChI=1S/C23H21BrN2O2S/c1-13-4-5-18-17(11-13)22(16-9-14(2)8-15(3)10-16)26(12-21(27)25-18)23(28)19-6-7-20(24)29-19/h4-11,22H,12H2,1-3H3,(H,25,27)/t22-/m1/s1 | | Definition date: | 2020-03-17 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | (5R)-4-(5-bromothiophene-2-carbonyl)-5-(3,5-dimethylphenyl)-7-methyl-1,3,4,5-tetrahydro-2H-1,4-benzodiazepin-2-one |
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 | | Z7D | | Name: | 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene | | Formula: | C24 H23 F O3 S | | SMILES: | c2c(OCc1ccccc1)ccc(c2)C3(CCCC3)S(c4ccc(cc4)F)(=O)=O | | InChi: | InChI=1S/C24H23FO3S/c25-21-10-14-23(15-11-21)29(26,27)24(16-4-5-17-24)20-8-12-22(13-9-20)28-18-19-6-2-1-3-7-19/h1-3,6-15H,4-5,16-18H2 | | Definition date: | 2020-03-24 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 1-(benzyloxy)-4-{1-[(4-fluorophenyl)sulfonyl]cyclopentyl}benzene |
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 | | TKJ | | Name: | 4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione | | Formula: | C29 H30 F N O6 S2 | | SMILES: | C5(C(=O)N4CC(S(c1ccc(F)cc1)(=O)=O)(c3ccc(OCc2ccccc2)cc3)CC4)CCS(CC5)(=O)=O | | InChi: | InChI=1S/C29H30FNO6S2/c30-25-8-12-27(13-9-25)39(35,36)29(16-17-31(21-29)28(32)23-14-18-38(33,34)19-15-23)24-6-10-26(11-7-24)37-20-22-4-2-1-3-5-22/h1-13,23H,14-21H2/t29-/m0/s1 | | Definition date: | 2020-03-24 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 4-{(3R)-3-[4-(benzyloxy)phenyl]-3-[(4-fluorophenyl)sulfonyl]pyrrolidine-1-carbonyl}-1lambda~6~-thiane-1,1-dione |
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 | | L3H | | Name: | [(3~{S})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-1-ium-3-yl] ~{N}-phenylcarbamate | | Formula: | C21 H25 N2 O2 | | SMILES: | O=C(Nc1ccccc1)O[CH]2CCC[NH+](C2)C3Cc4ccccc4C3 | | InChi: | InChI=1S/C21H24N2O2/c24-21(22-18-9-2-1-3-10-18)25-20-11-6-12-23(15-20)19-13-16-7-4-5-8-17(16)14-19/h1-5,7-10,19-20H,6,11-15H2,(H,22,24)/p+1/t20-/m0/s1 | | Definition date: | 2019-07-17 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | [(3~{S})-1-(2,3-dihydro-1~{H}-inden-2-yl)piperidin-1-ium-3-yl] ~{N}-phenylcarbamate |
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 | | LKQ | | Name: | ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide | | Formula: | C25 H24 N8 O2 | | SMILES: | COc1nn(C)cc1Nc2ncc(C)c(n2)c3c[nH]c4c(NC(=O)c5cccnc5C)cccc34 | | InChi: | InChI=1S/C25H24N8O2/c1-14-11-28-25(30-20-13-33(3)32-24(20)35-4)31-21(14)18-12-27-22-17(18)7-5-9-19(22)29-23(34)16-8-6-10-26-15(16)2/h5-13,27H,1-4H3,(H,29,34)(H,28,30,31) | | Definition date: | 2019-08-21 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | ~{N}-[3-[2-[(3-methoxy-1-methyl-pyrazol-4-yl)amino]-5-methyl-pyrimidin-4-yl]-1~{H}-indol-7-yl]-2-methyl-pyridine-3-carboxamide |
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 | | LKT | | Name: | 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile | | Formula: | C23 H19 Cl N8 | | SMILES: | Clc1cccc(N2CC[CH](C2)[CH](CC#N)n3cc(cn3)c4ncnc5[nH]ccc45)c1C#N | | InChi: | InChI=1S/C23H19ClN8/c24-19-2-1-3-21(18(19)10-26)31-9-6-15(12-31)20(4-7-25)32-13-16(11-30-32)22-17-5-8-27-23(17)29-14-28-22/h1-3,5,8,11,13-15,20H,4,6,9,12H2,(H,27,28,29)/t15-,20-/m0/s1 | | Definition date: | 2019-08-21 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 2-chloranyl-6-[(3~{S})-3-[(1~{S})-2-cyano-1-[4-(7~{H}-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]benzenecarbonitrile |
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 | | LT7 | | Name: | ~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine | | Formula: | C13 H17 N3 O | | SMILES: | CC(C)NCc1onc(n1)c2ccc(C)cc2 | | InChi: | InChI=1S/C13H17N3O/c1-9(2)14-8-12-15-13(16-17-12)11-6-4-10(3)5-7-11/h4-7,9,14H,8H2,1-3H3 | | Definition date: | 2019-03-13 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | ~{N}-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]propan-2-amine |
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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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 | | LV1 | | Name: | 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea | | Formula: | C13 H11 F N2 O2 | | SMILES: | Oc1cccc(NC(=O)Nc2ccc(F)cc2)c1 | | InChi: | InChI=1S/C13H11FN2O2/c14-9-4-6-10(7-5-9)15-13(18)16-11-2-1-3-12(17)8-11/h1-8,17H,(H2,15,16,18) | | Definition date: | 2019-03-15 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 1-(4-fluorophenyl)-3-(3-hydroxyphenyl)urea |
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 | | LV7 | | Name: | ~{N}-[2-(aminocarbamoyl)phenyl]ethanamide | | Formula: | C9 H11 N3 O2 | | SMILES: | CC(=O)Nc1ccccc1C(=O)NN | | InChi: | InChI=1S/C9H11N3O2/c1-6(13)11-8-5-3-2-4-7(8)9(14)12-10/h2-5H,10H2,1H3,(H,11,13)(H,12,14) | | Definition date: | 2019-03-15 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | ~{N}-[2-(aminocarbamoyl)phenyl]ethanamide |
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 | | LVD | | Name: | 1-phenylmethoxyurea | | Formula: | C8 H10 N2 O2 | | SMILES: | NC(=O)NOCc1ccccc1 | | InChi: | InChI=1S/C8H10N2O2/c9-8(11)10-12-6-7-4-2-1-3-5-7/h1-5H,6H2,(H3,9,10,11) | | Definition date: | 2019-03-15 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 1-phenylmethoxyurea |
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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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 | | LX7 | | Name: | 1-[4-(trifluoromethyloxy)phenyl]thiourea | | Formula: | C8 H7 F3 N2 O S | | SMILES: | NC(=S)Nc1ccc(OC(F)(F)F)cc1 | | InChi: | InChI=1S/C8H7F3N2OS/c9-8(10,11)14-6-3-1-5(2-4-6)13-7(12)15/h1-4H,(H3,12,13,15) | | Definition date: | 2019-03-15 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 1-[4-(trifluoromethyloxy)phenyl]thiourea |
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 | | LXA | | Name: | ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide | | Formula: | C11 H13 N3 O2 | | SMILES: | COCC(=O)NCc1[nH]c2ccccc2n1 | | InChi: | InChI=1S/C11H13N3O2/c1-16-7-11(15)12-6-10-13-8-4-2-3-5-9(8)14-10/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14) | | Definition date: | 2019-03-15 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | ~{N}-(1~{H}-benzimidazol-2-ylmethyl)-2-methoxy-ethanamide |
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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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 | | LXM | | Name: | [(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone | | Formula: | C18 H17 N O3 | | SMILES: | OC[CH]1CN([CH]2[CH]1Oc3ccccc23)C(=O)c4ccccc4 | | InChi: | InChI=1S/C18H17NO3/c20-11-13-10-19(18(21)12-6-2-1-3-7-12)16-14-8-4-5-9-15(14)22-17(13)16/h1-9,13,16-17,20H,10-11H2/t13-,16-,17-/m0/s1 | | Definition date: | 2019-03-15 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | [(3~{S},3~{a}~{S},8~{b}~{S})-3-(hydroxymethyl)-2,3,3~{a},8~{b}-tetrahydro-[1]benzofuro[3,2-b]pyrrol-1-yl]-phenyl-methanone |
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 | | LXS | | Name: | 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione | | Formula: | C15 H16 N2 O4 | | SMILES: | CCN1C(=O)CN([CH]2[CH](O)[CH]3O[CH]2c4ccccc34)C1=O | | InChi: | InChI=1S/C15H16N2O4/c1-2-16-10(18)7-17(15(16)20)11-12(19)14-9-6-4-3-5-8(9)13(11)21-14/h3-6,11-14,19H,2,7H2,1H3/t11-,12-,13-,14+/m0/s1 | | Definition date: | 2019-03-15 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 3-ethyl-1-[(1~{R},8~{S},9~{S},10~{S})-10-oxidanyl-11-oxatricyclo[6.2.1.0^{2,7}]undeca-2(7),3,5-trien-9-yl]imidazolidine-2,4-dione |
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 | | LZV | | Name: | ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate | | Formula: | C13 H20 N2 O3 | | SMILES: | CCOC(=O)[CH]1CN2N(CCC2=O)C13CCCC3 | | InChi: | InChI=1S/C13H20N2O3/c1-2-18-12(17)10-9-14-11(16)5-8-15(14)13(10)6-3-4-7-13/h10H,2-9H2,1H3/t10-/m0/s1 | | Definition date: | 2019-03-15 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | ethyl (6~{R})-3-oxidanylidenespiro[1,2,5,6-tetrahydropyrazolo[1,2-a]pyrazole-7,1'-cyclopentane]-6-carboxylate |
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 | | LZY | | Name: | 8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one | | Formula: | C11 H13 F N2 O | | SMILES: | CN1Cc2cc(F)ccc2NCCC1=O | | InChi: | InChI=1S/C11H13FN2O/c1-14-7-8-6-9(12)2-3-10(8)13-5-4-11(14)15/h2-3,6,13H,4-5,7H2,1H3 | | Definition date: | 2019-03-15 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 8-fluoranyl-5-methyl-1,2,3,6-tetrahydro-1,5-benzodiazocin-4-one |
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 | | M0D | | Name: | 2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide | | Formula: | C16 H19 N3 O2 | | SMILES: | N4(C1CC(c3c(C1)c2c(cccc2)n3)C(C4)O)CC(N)=O | | InChi: | InChI=1S/C16H19N3O2/c17-15(21)8-19-7-14(20)12-6-9(19)5-11-10-3-1-2-4-13(10)18-16(11)12/h1-4,9,12,14,18,20H,5-8H2,(H2,17,21)/t9-,12+,14-/m0/s1 | | Definition date: | 2019-03-15 | | Last modified: | 2020-04-24 | | Release date: | 2020-04-29 | | Identifier: | 2-[(2R,5R,6S)-5-hydroxy-1,2,4,5,6,7-hexahydro-3H-2,6-methanoazocino[5,4-b]indol-3-yl]acetamide |
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