 | | 622 | | Name: | 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine | | Formula: | C21 H19 F2 N5 O | | SMILES: | c1(cc2c(nc1)ncc2Cc4c(nc(NCc3c(OC)ncc(c3)F)cc4)F)C | | InChi: | InChI=1S/C21H19F2N5O/c1-12-5-17-14(9-26-20(17)25-8-12)6-13-3-4-18(28-19(13)23)24-10-15-7-16(22)11-27-21(15)29-2/h3-5,7-9,11H,6,10H2,1-2H3,(H,24,28)(H,25,26) | | Definition date: | 2018-11-15 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 6-fluoro-N-[(5-fluoro-2-methoxypyridin-3-yl)methyl]-5-[(5-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)methyl]pyridin-2-amine |
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 | | LFZ | | Name: | 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid | | Formula: | C16 H10 F6 O2 | | SMILES: | OC(=O)Cc1ccc(cc1)c2cc(cc(c2)C(F)(F)F)C(F)(F)F | | InChi: | InChI=1S/C16H10F6O2/c17-15(18,19)12-6-11(7-13(8-12)16(20,21)22)10-3-1-9(2-4-10)5-14(23)24/h1-4,6-8H,5H2,(H,23,24) | | Definition date: | 2019-08-14 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 2-[4-[3,5-bis(trifluoromethyl)phenyl]phenyl]ethanoic acid |
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 | | LQ7 | | Name: | N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide | | Formula: | C23 H26 N2 O2 S | | SMILES: | C(=O)(c1c(cccc1)OCc2cc(C)ccc2)N(Cc3cccs3)CCCN | | InChi: | InChI=1S/C23H26N2O2S/c1-18-7-4-8-19(15-18)17-27-22-11-3-2-10-21(22)23(26)25(13-6-12-24)16-20-9-5-14-28-20/h2-5,7-11,14-15H,6,12-13,16-17,24H2,1H3 | | Definition date: | 2019-03-08 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | N-(3-aminopropyl)-2-[(3-methylphenyl)methoxy]-N-[(thiophen-2-yl)methyl]benzamide |
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 | | LU8 | | Name: | 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine | | Formula: | C27 H32 N2 O3 | | SMILES: | COc1cc(cc(OC)c1OC)c2cncc(c2C)c3ccc(cc3)C4CCN(C)CC4 | | InChi: | InChI=1S/C27H32N2O3/c1-18-23(21-8-6-19(7-9-21)20-10-12-29(2)13-11-20)16-28-17-24(18)22-14-25(30-3)27(32-5)26(15-22)31-4/h6-9,14-17,20H,10-13H2,1-5H3 | | Definition date: | 2019-09-05 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 4-methyl-3-[4-(1-methylpiperidin-4-yl)phenyl]-5-(3,4,5-trimethoxyphenyl)pyridine |
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 | | QDD | | Name: | 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid | | Formula: | C12 H10 N2 O3 | | SMILES: | Nc1cccc2c(CC(O)=O)cc(C=O)nc12 | | InChi: | InChI=1S/C12H10N2O3/c13-10-3-1-2-9-7(5-11(16)17)4-8(6-15)14-12(9)10/h1-4,6H,5,13H2,(H,16,17) | | Definition date: | 2018-10-24 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 2-(8-azanyl-2-methanoyl-quinolin-4-yl)ethanoic acid |
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 | | NR7 | | Name: | methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Formula: | C29 H30 Cl N5 O4 | | SMILES: | c1c(cc2c(c1)c5cnc(C(CC=CCCC(N2)=O)N4C(CC(c3cccc(Cl)c3)CC4)=O)n5)NC(OC)=O | | InChi: | InChI=1S/C29H30ClN5O4/c1-39-29(38)32-21-10-11-22-23(16-21)33-26(36)9-4-2-3-8-25(28-31-17-24(22)34-28)35-13-12-19(15-27(35)37)18-6-5-7-20(30)14-18/h2-3,5-7,10-11,14,16-17,19,25H,4,8-9,12-13,15H2,1H3,(H,31,34)(H,32,38)(H,33,36)/b3-2+/t19-,25-/m0/s1 | | Definition date: | 2019-05-24 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | methyl [(5E,8S)-8-[(4S)-4-(3-chlorophenyl)-2-oxopiperidin-1-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate |
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 | | NRJ | | Name: | methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate | | Formula: | C28 H28 Cl N5 O5 | | SMILES: | c3cc(cc4NC(CCC=CCC(N1C(OC(CC1)c2cccc(Cl)c2)=O)c5nc(c34)cn5)=O)NC(OC)=O | | InChi: | InChI=1S/C28H28ClN5O5/c1-38-27(36)31-19-10-11-20-21(15-19)32-25(35)9-4-2-3-8-23(26-30-16-22(20)33-26)34-13-12-24(39-28(34)37)17-6-5-7-18(29)14-17/h2-3,5-7,10-11,14-16,23-24H,4,8-9,12-13H2,1H3,(H,30,33)(H,31,36)(H,32,35)/b3-2+/t23-,24+/m0/s1 | | Definition date: | 2019-05-24 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | methyl [(5E,8S)-8-[(6R)-6-(3-chlorophenyl)-2-oxo-1,3-oxazinan-3-yl]-2-oxo-1,3,4,7,8,10-hexahydro-2H-12,9-(azeno)-1,10-benzodiazacyclotetradecin-15-yl]carbamate |
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 | | 9X9 | | Name: | 3,5-bis(azanyl)-N-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide | | Formula: | C11 H13 N9 O2 | | SMILES: | COc1ncc(cn1)c2nc(c(N)nc2N)C(=O)NC(N)=N | | InChi: | InChI=1S/C11H13N9O2/c1-22-11-16-2-4(3-17-11)5-7(12)19-8(13)6(18-5)9(21)20-10(14)15/h2-3H,1H3,(H4,12,13,19)(H4,14,15,20,21) | | Definition date: | 2018-08-22 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 3,5-bis(azanyl)-~{N}-carbamimidoyl-6-(2-methoxypyrimidin-5-yl)pyrazine-2-carboxamide |
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 | | 9XC | | Name: | 3,5-bis(azanyl)-N-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide | | Formula: | C12 H15 N9 O3 | | SMILES: | COc1ncc(c(OC)n1)c2nc(c(N)nc2N)C(=O)NC(N)=N | | InChi: | InChI=1S/C12H15N9O3/c1-23-10-4(3-17-12(21-10)24-2)5-7(13)19-8(14)6(18-5)9(22)20-11(15)16/h3H,1-2H3,(H4,13,14,19)(H4,15,16,20,22) | | Definition date: | 2018-08-22 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 3,5-bis(azanyl)-~{N}-carbamimidoyl-6-(2,4-dimethoxypyrimidin-5-yl)pyrazine-2-carboxamide |
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 | | 9XF | | Name: | 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-N-carbamimidoyl-pyrazine-2-carboxamide | | Formula: | C14 H13 N7 O2 | | SMILES: | NC(=N)NC(=O)c1nc(c(N)nc1N)c2oc3ccccc3c2 | | InChi: | InChI=1S/C14H13N7O2/c15-11-9(8-5-6-3-1-2-4-7(6)23-8)19-10(12(16)20-11)13(22)21-14(17)18/h1-5H,(H4,15,16,20)(H4,17,18,21,22) | | Definition date: | 2018-08-22 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 3,5-bis(azanyl)-6-(1-benzofuran-2-yl)-~{N}-carbamimidoyl-pyrazine-2-carboxamide |
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 | | MQ4 | | Name: | (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid | | Formula: | C9 H10 F3 N O3 | | SMILES: | C(C(C=O)C=1CC(CC=1N)C(=O)O)(F)(F)F | | InChi: | InChI=1S/C9H10F3NO3/c10-9(11,12)6(3-14)5-1-4(8(15)16)2-7(5)13/h3-4,6H,1-2,13H2,(H,15,16)/t4-,6+/m0/s1 | | Definition date: | 2019-04-10 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | (1S)-3-amino-4-[(2S)-1,1,1-trifluoro-3-oxopropan-2-yl]cyclopent-3-ene-1-carboxylic acid |
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 | | O4Y | | Name: | (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid | | Formula: | C11 H10 N2 O3 | | SMILES: | CC(C(O)=O)N2C=Nc1c(cccc1)C2=O | | InChi: | InChI=1S/C11H10N2O3/c1-7(11(15)16)13-6-12-9-5-3-2-4-8(9)10(13)14/h2-7H,1H3,(H,15,16)/t7-/m1/s1 | | Definition date: | 2019-06-11 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | (2R)-2-(4-oxoquinazolin-3(4H)-yl)propanoic acid |
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 | | O6M | | Name: | 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide | | Formula: | C17 H12 N4 O2 S | | SMILES: | c1(cccc(c1)S(Nc2ccc(C)c3c(cnc23)C#N)(=O)=O)C#N | | InChi: | InChI=1S/C17H12N4O2S/c1-11-5-6-15(17-16(11)13(9-19)10-20-17)21-24(22,23)14-4-2-3-12(7-14)8-18/h2-7,10,20-21H,1H3 | | Definition date: | 2019-06-12 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 3-cyano-N-(3-cyano-4-methyl-1H-indol-7-yl)benzene-1-sulfonamide |
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 | | AWU | | Name: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate | | Formula: | C15 H24 N2 O16 P2 | | SMILES: | C[CH]1O[CH](O[P](O)(=O)O[P](O)(=O)OC[CH]2O[CH]([CH](O)[CH]2O)N3C=CC(=O)NC3=O)[CH](O)[CH](O)[CH]1O | | InChi: | InChI=1S/C15H24N2O16P2/c1-5-8(19)10(21)12(23)14(30-5)32-35(27,28)33-34(25,26)29-4-6-9(20)11(22)13(31-6)17-3-2-7(18)16-15(17)24/h2-3,5-6,8-14,19-23H,4H2,1H3,(H,25,26)(H,27,28)(H,16,18,24)/t5-,6+,8-,9+,10+,11+,12+,13+,14+/m0/s1 | | Definition date: | 2018-12-04 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | [[(2~{R},3~{S},4~{R},5~{R})-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2~{R},3~{R},4~{R},5~{R},6~{S})-6-methyl-3,4,5-tris(oxidanyl)oxan-2-yl] hydrogen phosphate |
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 | | T14 | | Name: | 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene | | Formula: | C23 H19 F6 N3 O | | SMILES: | C(F)(F)(c1ccccc1c5cc(C(F)(F)F)c4nc(C=2CC3(ON=2)CCCCC3)nc4c5)F | | InChi: | InChI=1S/C23H19F6N3O/c24-22(25,26)15-7-3-2-6-14(15)13-10-16(23(27,28)29)19-17(11-13)30-20(31-19)18-12-21(33-32-18)8-4-1-5-9-21/h2-3,6-7,10-11H,1,4-5,8-9,12H2,(H,30,31) | | Definition date: | 2019-03-08 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 3-{7-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]-1H-benzimidazol-2-yl}-1-oxa-2-azaspiro[4.5]dec-2-ene |
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 | | HHJ | | Name: | 5'-O-{[2-(1H-indol-3-yl)ethyl]carbamoyl}guanosine | | Formula: | C21 H23 N7 O6 | | SMILES: | O=C5N=C(N)Nc1c5ncn1C2OC(C(O)C2O)COC(=O)NCCc4c3ccccc3nc4 | | InChi: | InChI=1S/C21H23N7O6/c22-20-26-17-14(18(31)27-20)25-9-28(17)19-16(30)15(29)13(34-19)8-33-21(32)23-6-5-10-7-24-12-4-2-1-3-11(10)12/h1-4,7,9,13,15-16,19,24,29-30H,5-6,8H2,(H,23,32)(H3,22,26,27,31)/t13-,15-,16-,19-/m1/s1 | | Definition date: | 2014-07-29 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 5'-O-{[2-(1H-indol-3-yl)ethyl]carbamoyl}guanosine |
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 | | JCH | | Name: | 3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine | | Formula: | C19 H18 N4 O | | SMILES: | COc1ccc(Cn2ccc3ccc(cc23)c4cc(N)[nH]n4)cc1 | | InChi: | InChI=1S/C19H18N4O/c1-24-16-6-2-13(3-7-16)12-23-9-8-14-4-5-15(10-18(14)23)17-11-19(20)22-21-17/h2-11H,12H2,1H3,(H3,20,21,22) | | Definition date: | 2019-02-19 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 3-[1-[(4-methoxyphenyl)methyl]indol-6-yl]-1~{H}-pyrazol-5-amine |
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 | | JCQ | | Name: | (3-methoxyphenyl)methyl 1~{H}-pyrazole-4-carboxylate | | Formula: | C12 H12 N2 O3 | | SMILES: | COc1cccc(COC(=O)c2c[nH]nc2)c1 | | InChi: | InChI=1S/C12H12N2O3/c1-16-11-4-2-3-9(5-11)8-17-12(15)10-6-13-14-7-10/h2-7H,8H2,1H3,(H,13,14) | | Definition date: | 2019-02-19 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | (3-methoxyphenyl)methyl 1~{H}-pyrazole-4-carboxylate |
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 | | JD8 | | Name: | 5-azanyl-3-[1-[[(2~{R})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile | | Formula: | C19 H22 N6 | | SMILES: | CN1CCCC[CH]1Cn2ccc3ccc(cc23)c4n[nH]c(N)c4C#N | | InChi: | InChI=1S/C19H22N6/c1-24-8-3-2-4-15(24)12-25-9-7-13-5-6-14(10-17(13)25)18-16(11-20)19(21)23-22-18/h5-7,9-10,15H,2-4,8,12H2,1H3,(H3,21,22,23)/t15-/m1/s1 | | Definition date: | 2019-02-19 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 5-azanyl-3-[1-[[(2~{R})-1-methylpiperidin-2-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
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 | | JDE | | Name: | (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate | | Formula: | C17 H15 N3 O3 | | SMILES: | COc1cc(COC(=O)c2c[nH]nc2)cc(c1)c3cccnc3 | | InChi: | InChI=1S/C17H15N3O3/c1-22-16-6-12(11-23-17(21)15-9-19-20-10-15)5-14(7-16)13-3-2-4-18-8-13/h2-10H,11H2,1H3,(H,19,20) | | Definition date: | 2019-02-19 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | (3-methoxy-5-pyridin-3-yl-phenyl)methyl 1~{H}-pyrazole-4-carboxylate |
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 | | JDK | | Name: | 3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine | | Formula: | C24 H27 N5 | | SMILES: | Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccc(CN5CCCCC5)cc4)c3c2 | | InChi: | InChI=1S/C24H27N5/c25-24-15-22(26-27-24)21-9-8-20-10-13-29(23(20)14-21)17-19-6-4-18(5-7-19)16-28-11-2-1-3-12-28/h4-10,13-15H,1-3,11-12,16-17H2,(H3,25,26,27) | | Definition date: | 2019-02-19 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 3-[1-[[4-(piperidin-1-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazol-5-amine |
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 | | JDQ | | Name: | 3-[1-(phenylmethyl)indol-6-yl]-1~{H}-pyrazol-5-amine | | Formula: | C18 H16 N4 | | SMILES: | Nc1[nH]nc(c1)c2ccc3ccn(Cc4ccccc4)c3c2 | | InChi: | InChI=1S/C18H16N4/c19-18-11-16(20-21-18)15-7-6-14-8-9-22(17(14)10-15)12-13-4-2-1-3-5-13/h1-11H,12H2,(H3,19,20,21) | | Definition date: | 2019-02-19 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 3-[1-(phenylmethyl)indol-6-yl]-1~{H}-pyrazol-5-amine |
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 | | JE8 | | Name: | 5-azanyl-3-[1-[[(3~{S})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile | | Formula: | C19 H22 N6 | | SMILES: | CN1CCC[CH](C1)Cn2ccc3ccc(cc23)c4n[nH]c(N)c4C#N | | InChi: | InChI=1S/C19H22N6/c1-24-7-2-3-13(11-24)12-25-8-6-14-4-5-15(9-17(14)25)18-16(10-20)19(21)23-22-18/h4-6,8-9,13H,2-3,7,11-12H2,1H3,(H3,21,22,23)/t13-/m0/s1 | | Definition date: | 2019-02-19 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 5-azanyl-3-[1-[[(3~{S})-1-methylpiperidin-3-yl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
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 | | JEB | | Name: | 5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile | | Formula: | C18 H14 N6 | | SMILES: | Nc1[nH]nc(c2ccc3ccn(Cc4cccnc4)c3c2)c1C#N | | InChi: | InChI=1S/C18H14N6/c19-9-15-17(22-23-18(15)20)14-4-3-13-5-7-24(16(13)8-14)11-12-2-1-6-21-10-12/h1-8,10H,11H2,(H3,20,22,23) | | Definition date: | 2019-02-19 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 5-azanyl-3-[1-(pyridin-3-ylmethyl)indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
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 | | JEE | | Name: | 5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile | | Formula: | C24 H24 N6 O | | SMILES: | Nc1[nH]nc(c2ccc3ccn(Cc4ccc(CN5CCOCC5)cc4)c3c2)c1C#N | | InChi: | InChI=1S/C24H24N6O/c25-14-21-23(27-28-24(21)26)20-6-5-19-7-8-30(22(19)13-20)16-18-3-1-17(2-4-18)15-29-9-11-31-12-10-29/h1-8,13H,9-12,15-16H2,(H3,26,27,28) | | Definition date: | 2019-02-19 | | Last modified: | 2019-09-13 | | Release date: | 2019-09-18 | | Identifier: | 5-azanyl-3-[1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]indol-6-yl]-1~{H}-pyrazole-4-carbonitrile |
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