 | | VH4 | | Name: | 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide | | Formula: | C22 H29 F N4 O2 | | SMILES: | C1C(CCC(C(C)(O)C)C1)NC(=O)N2CCc3c(C2)cnn3c4cccc(c4)F | | InChi: | InChI=1S/C22H29FN4O2/c1-22(2,29)16-6-8-18(9-7-16)25-21(28)26-11-10-20-15(14-26)13-24-27(20)19-5-3-4-17(23)12-19/h3-5,12-13,16,18,29H,6-11,14H2,1-2H3,(H,25,28)/t16-,18- | | Definition date: | 2020-08-12 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 1-(3-fluorophenyl)-N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridine-5-carboxamide |
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 | | VH7 | | Name: | N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide | | Formula: | C23 H27 N3 O2 | | SMILES: | C1C(CCC(C(C)(O)C)C1)NC(=O)c4ccc2n(cc(n2)c3ccccc3)c4 | | InChi: | InChI=1S/C23H27N3O2/c1-23(2,28)18-9-11-19(12-10-18)24-22(27)17-8-13-21-25-20(15-26(21)14-17)16-6-4-3-5-7-16/h3-8,13-15,18-19,28H,9-12H2,1-2H3,(H,24,27)/t18-,19- | | Definition date: | 2020-08-12 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | N-[trans-4-(2-hydroxypropan-2-yl)cyclohexyl]-2-phenylimidazo[1,2-a]pyridine-6-carboxamide |
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 | | T2Q | | Name: | 1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one | | Formula: | C27 H25 F3 N4 O5 S | | SMILES: | C[S](=O)(=O)C1CCN(CC1)c2cccc(CN3C=C(C=CC3=O)c4onc(n4)c5ccc(OC(F)(F)F)cc5)c2 | | InChi: | InChI=1S/C27H25F3N4O5S/c1-40(36,37)23-11-13-33(14-12-23)21-4-2-3-18(15-21)16-34-17-20(7-10-24(34)35)26-31-25(32-39-26)19-5-8-22(9-6-19)38-27(28,29)30/h2-10,15,17,23H,11-14,16H2,1H3 | | Definition date: | 2020-12-14 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 1-[[3-(4-methylsulfonylpiperidin-1-yl)phenyl]methyl]-5-[3-[4-(trifluoromethyloxy)phenyl]-1,2,4-oxadiazol-5-yl]pyridin-2-one |
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 | | Q9H | | Name: | (2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol | | Formula: | C25 H31 N11 O8 | | SMILES: | NCCNc1ncnc2n(cnc12)[CH]3O[CH](COCC#Cc4nc5c(N)ncnc5n4[CH]6O[CH](CO)[CH](O)[CH]6O)[CH](O)[CH]3O | | InChi: | InChI=1S/C25H31N11O8/c26-3-4-28-21-15-22(31-9-30-21)35(10-33-15)24-18(40)17(39)12(44-24)7-42-5-1-2-13-34-14-20(27)29-8-32-23(14)36(13)25-19(41)16(38)11(6-37)43-25/h8-12,16-19,24-25,37-41H,3-7,26H2,(H2,27,29,32)(H,28,30,31)/t11-,12-,16-,17-,18-,19-,24-,25-/m1/s1 | | Definition date: | 2020-05-28 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-[6-azanyl-8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-[6-(2-azanylethylamino)purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol |
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 | | Q9K | | Name: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol | | Formula: | C26 H34 N12 O7 | | SMILES: | NCCCN(CC#Cc1nc2c(N)ncnc2n1[CH]3O[CH](CO)[CH](O)[CH]3O)C[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56 | | InChi: | InChI=1S/C26H34N12O7/c27-4-2-6-36(7-12-17(40)19(42)25(44-12)37-11-34-15-21(28)30-9-32-23(15)37)5-1-3-14-35-16-22(29)31-10-33-24(16)38(14)26-20(43)18(41)13(8-39)45-26/h9-13,17-20,25-26,39-43H,2,4-8,27H2,(H2,28,30,32)(H2,29,31,33)/t12-,13-,17-,18-,19-,20-,25-,26-/m1/s1 | | Definition date: | 2020-05-28 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (2~{R},3~{R},4~{S},5~{R})-2-(6-aminopurin-9-yl)-5-[[3-[6-azanyl-9-[(2~{R},3~{R},4~{S},5~{R})-5-(hydroxymethyl)-3,4-bis(oxidanyl)oxolan-2-yl]purin-8-yl]prop-2-ynyl-(3-azanylpropyl)amino]methyl]oxolane-3,4-diol |
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 | | Q9N | | Name: | ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide | | Formula: | C27 H34 N12 O8 | | SMILES: | NCCCC(=O)NC[CH]1O[CH]([CH](O)[CH]1O)n2c(nc3c(N)ncnc23)C#CCOC[CH]4O[CH]([CH](O)[CH]4O)n5cnc6c(N)ncnc56 | | InChi: | InChI=1S/C27H34N12O8/c28-5-1-4-15(40)31-7-12-18(41)21(44)27(46-12)39-14(37-17-23(30)33-10-35-25(17)39)3-2-6-45-8-13-19(42)20(43)26(47-13)38-11-36-16-22(29)32-9-34-24(16)38/h9-13,18-21,26-27,41-44H,1,4-8,28H2,(H,31,40)(H2,29,32,34)(H2,30,33,35)/t12-,13-,18-,19-,20-,21-,26-,27-/m1/s1 | | Definition date: | 2020-05-28 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | ~{N}-[[(2~{R},3~{S},4~{R},5~{R})-5-[8-[3-[[(2~{R},3~{S},4~{R},5~{R})-5-(6-aminopurin-9-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy]prop-1-ynyl]-6-azanyl-purin-9-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methyl]-4-azanyl-butanamide |
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 | | RHH | | Name: | 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine | | Formula: | C19 H19 N7 O | | SMILES: | Cc1nc2ccc(nc2n1CCOc3ccccn3)c4cc(N)nc(N)c4 | | InChi: | InChI=1S/C19H19N7O/c1-12-23-15-6-5-14(13-10-16(20)25-17(21)11-13)24-19(15)26(12)8-9-27-18-4-2-3-7-22-18/h2-7,10-11H,8-9H2,1H3,(H4,20,21,25) | | Definition date: | 2020-09-29 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-[2-methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
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 | | YEY | | Name: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole | | Formula: | C12 H11 N O2 | | SMILES: | c1c(ccc2c1OCCO2)c3cccn3 | | InChi: | InChI=1S/C12H11NO2/c1-2-10(13-5-1)9-3-4-11-12(8-9)15-7-6-14-11/h1-5,8,13H,6-7H2 | | Definition date: | 2021-02-24 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1H-pyrrole |
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 | | RHT | | Name: | 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine | | Formula: | C13 H13 N5 | | SMILES: | Cn1cnc2ccc(cc12)c3cc(N)nc(N)c3 | | InChi: | InChI=1S/C13H13N5/c1-18-7-16-10-3-2-8(4-11(10)18)9-5-12(14)17-13(15)6-9/h2-7H,1H3,(H4,14,15,17) | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(3-methylbenzimidazol-5-yl)pyridine-2,6-diamine |
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 | | RHW | | Name: | 4-(1-benzofuran-5-yl)pyridine-2,6-diamine | | Formula: | C13 H11 N3 O | | SMILES: | Nc1cc(cc(N)n1)c2ccc3occc3c2 | | InChi: | InChI=1S/C13H11N3O/c14-12-6-10(7-13(15)16-12)8-1-2-11-9(5-8)3-4-17-11/h1-7H,(H4,14,15,16) | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(1-benzofuran-5-yl)pyridine-2,6-diamine |
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 | | RHZ | | Name: | 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine | | Formula: | C12 H11 Cl N2 O | | SMILES: | COc1cc(ccc1Cl)c2ccnc(N)c2 | | InChi: | InChI=1S/C12H11ClN2O/c1-16-11-6-8(2-3-10(11)13)9-4-5-15-12(14)7-9/h2-7H,1H3,(H2,14,15) | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(4-chloranyl-3-methoxy-phenyl)pyridin-2-amine |
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 | | ZG7 | | Name: | (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile | | Formula: | C22 H14 Br Cl N4 O2 | | SMILES: | Clc1ccc(cc1)C1(CC1)c1nn2c(O)c(cnc2c1C#N)Oc1cccc(Br)c1 | | InChi: | InChI=1S/C22H14BrClN4O2/c23-14-2-1-3-16(10-14)30-18-12-26-20-17(11-25)19(27-28(20)21(18)29)22(8-9-22)13-4-6-15(24)7-5-13/h1-7,10,12,29H,8-9H2 | | Definition date: | 2021-04-19 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | (8S)-6-(3-bromophenoxy)-2-[1-(4-chlorophenyl)cyclopropyl]-7-hydroxypyrazolo[1,5-a]pyrimidine-3-carbonitrile |
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 | | V5J | | Name: | 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide | | Formula: | C26 H22 F N5 O2 | | SMILES: | c2(F)c(NC(c1cccc(c1)C(C)(C)C#N)=O)cc(c(C)c2)c3cnc4c(c3)C=NN(C4=O)C | | InChi: | InChI=1S/C26H22FN5O2/c1-15-8-21(27)22(31-24(33)16-6-5-7-19(10-16)26(2,3)14-28)11-20(15)17-9-18-13-30-32(4)25(34)23(18)29-12-17/h5-13H,1-4H3,(H,31,33) | | Definition date: | 2020-06-29 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 3-(2-cyanopropan-2-yl)-N-[2-fluoro-4-methyl-5-(7-methyl-8-oxo-7,8-dihydropyrido[2,3-d]pyridazin-3-yl)phenyl]benzamide |
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 | | ZXX | | Name: | methyl (3~{S})-1-[(2~{S})-2-[[(2~{S})-2-acetamido-3-methyl-butanoyl]amino]-3-(3-hydroxyphenyl)propanoyl]-1,2-diazinane-3-carboxylate | | Formula: | C22 H32 N4 O6 | | SMILES: | O=C(N1CCCC(N1)C(=O)OC)C(Cc1cccc(O)c1)NC(=O)C(NC(C)=O)C(C)C | | InChi: | InChI=1S/C22H32N4O6/c1-13(2)19(23-14(3)27)20(29)24-18(12-15-7-5-8-16(28)11-15)21(30)26-10-6-9-17(25-26)22(31)32-4/h5,7-8,11,13,17-19,25,28H,6,9-10,12H2,1-4H3,(H,23,27)(H,24,29)/t17-,18-,19-/m0/s1 | | Definition date: | 2020-05-22 | | Last modified: | 2021-05-21 | | Release date: | 2020-06-24 | | Identifier: | methyl (3S)-1-(N-acetyl-L-valyl-3-hydroxy-L-phenylalanyl)-1,2-diazinane-3-carboxylate |
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 | | RJ2 | | Name: | 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine | | Formula: | C17 H17 N3 O | | SMILES: | C1CN(CCN1)c2cc(ccn2)c3ccc4occc4c3 | | InChi: | InChI=1S/C17H17N3O/c1-2-16-15(4-10-21-16)11-13(1)14-3-5-19-17(12-14)20-8-6-18-7-9-20/h1-5,10-12,18H,6-9H2 | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 1-[4-(1-benzofuran-5-yl)pyridin-2-yl]piperazine |
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 | | RJ5 | | Name: | 4-(4-methoxyphenyl)pyridin-2-amine | | Formula: | C12 H12 N2 O | | SMILES: | COc1ccc(cc1)c2ccnc(N)c2 | | InChi: | InChI=1S/C12H12N2O/c1-15-11-4-2-9(3-5-11)10-6-7-14-12(13)8-10/h2-8H,1H3,(H2,13,14) | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(4-methoxyphenyl)pyridin-2-amine |
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 | | RJ8 | | Name: | 4-(1-benzofuran-5-yl)pyridin-2-amine | | Formula: | C13 H10 N2 O | | SMILES: | Nc1cc(ccn1)c2ccc3occc3c2 | | InChi: | InChI=1S/C13H10N2O/c14-13-8-10(3-5-15-13)9-1-2-12-11(7-9)4-6-16-12/h1-8H,(H2,14,15) | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(1-benzofuran-5-yl)pyridin-2-amine |
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 | | RJZ | | Name: | 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine | | Formula: | C19 H18 Br N7 O | | SMILES: | Cc1nc2ccc(nc2n1CCOc3cccc(Br)n3)c4cc(N)nc(N)c4 | | InChi: | InChI=1S/C19H18BrN7O/c1-11-23-14-6-5-13(12-9-16(21)26-17(22)10-12)24-19(14)27(11)7-8-28-18-4-2-3-15(20)25-18/h2-6,9-10H,7-8H2,1H3,(H4,21,22,26) | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-[3-[2-(6-bromanylpyridin-2-yl)oxyethyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
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 | | RK2 | | Name: | 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine | | Formula: | C20 H21 N7 O | | SMILES: | C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4ccccn4 | | InChi: | InChI=1S/C20H21N7O/c1-12(28-19-5-3-4-8-23-19)11-27-13(2)24-16-7-6-15(25-20(16)27)14-9-17(21)26-18(22)10-14/h3-10,12H,11H2,1-2H3,(H4,21,22,26)/t12-/m1/s1 | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
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 | | RK5 | | Name: | 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine | | Formula: | C15 H15 N3 O | | SMILES: | Cc1oc2ccc(cc2c1C)c3cc(N)nc(N)c3 | | InChi: | InChI=1S/C15H15N3O/c1-8-9(2)19-13-4-3-10(5-12(8)13)11-6-14(16)18-15(17)7-11/h3-7H,1-2H3,(H4,16,17,18) | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(2,3-dimethyl-1-benzofuran-5-yl)pyridine-2,6-diamine |
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 | | RK8 | | Name: | 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine | | Formula: | C20 H20 Br N7 O | | SMILES: | C[CH](Cn1c(C)nc2ccc(nc12)c3cc(N)nc(N)c3)Oc4cccc(Br)n4 | | InChi: | InChI=1S/C20H20BrN7O/c1-11(29-19-5-3-4-16(21)26-19)10-28-12(2)24-15-7-6-14(25-20(15)28)13-8-17(22)27-18(23)9-13/h3-9,11H,10H2,1-2H3,(H4,22,23,27)/t11-/m0/s1 | | Definition date: | 2020-09-30 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-[3-[(2~{S})-2-(6-bromanylpyridin-2-yl)oxypropyl]-2-methyl-imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
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 | | RKH | | Name: | 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine | | Formula: | C14 H13 N3 O | | SMILES: | Cc1oc2ccc(cc2c1)c3cc(N)nc(N)c3 | | InChi: | InChI=1S/C14H13N3O/c1-8-4-11-5-9(2-3-12(11)18-8)10-6-13(15)17-14(16)7-10/h2-7H,1H3,(H4,15,16,17) | | Definition date: | 2020-10-01 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(2-methyl-1-benzofuran-5-yl)pyridine-2,6-diamine |
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 | | RKK | | Name: | 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine | | Formula: | C19 H26 N6 | | SMILES: | CCCCn1c(CCCC)nc2ccc(nc12)c3cc(N)nc(N)c3 | | InChi: | InChI=1S/C19H26N6/c1-3-5-7-18-22-15-9-8-14(13-11-16(20)24-17(21)12-13)23-19(15)25(18)10-6-4-2/h8-9,11-12H,3-7,10H2,1-2H3,(H4,20,21,24) | | Synonyms: | 4-{2,3-dibutyl-3H-imidazo[4,5-b]pyridin-5-yl}pyridine-2,6-diamine | | Definition date: | 2020-10-01 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-(2,3-dibutylimidazo[4,5-b]pyridin-5-yl)pyridine-2,6-diamine |
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 | | RKQ | | Name: | 4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine | | Formula: | C20 H20 N6 O | | SMILES: | Cc1nc2ccc(nc2n1CCOc3ccccc3)c4cc(N)nc(N)c4 | | InChi: | InChI=1S/C20H20N6O/c1-13-23-17-8-7-16(14-11-18(21)25-19(22)12-14)24-20(17)26(13)9-10-27-15-5-3-2-4-6-15/h2-8,11-12H,9-10H2,1H3,(H4,21,22,25) | | Definition date: | 2020-10-01 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | 4-[2-methyl-3-(2-phenoxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine |
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 | | RKW | | Name: | ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide | | Formula: | C16 H16 N4 O2 | | SMILES: | CNCC(=O)Nc1cc(cc(N)n1)c2ccc3occc3c2 | | InChi: | InChI=1S/C16H16N4O2/c1-18-9-16(21)20-15-8-12(7-14(17)19-15)10-2-3-13-11(6-10)4-5-22-13/h2-8,18H,9H2,1H3,(H3,17,19,20,21) | | Definition date: | 2020-10-01 | | Last modified: | 2021-05-21 | | Release date: | 2021-05-26 | | Identifier: | ~{N}-[6-azanyl-4-(1-benzofuran-5-yl)pyridin-2-yl]-2-(methylamino)ethanamide |
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