| K7F | Name: | 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide | Formula: | C31 H31 N7 O2 | SMILES: | NC(=O)c1ccc(cc1)CN2CCC(CC2)Nc5nc(Oc3c(cc(cc3C)C#N)C)c(c4ccncc4)cn5 | InChi: | InChI=1S/C31H31N7O2/c1-20-15-23(17-32)16-21(2)28(20)40-30-27(24-7-11-34-12-8-24)18-35-31(37-30)36-26-9-13-38(14-10-26)19-22-3-5-25(6-4-22)29(33)39/h3-8,11-12,15-16,18,26H,9-10,13-14,19H2,1-2H3,(H2,33,39)(H,35,36,37) | Definition date: | 2020-12-02 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 4-[(4-{[4-(4-cyano-2,6-dimethylphenoxy)-5-(pyridin-4-yl)pyrimidin-2-yl]amino}piperidin-1-yl)methyl]benzamide |
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| G9R | Name: | CHLOROPHYLL D ISOMER | Formula: | C54 H70 Mg N4 O6 | SMILES: | CCC1=C(C)C2=Cc3n4[Mg][N]5C(=CC1=N2)C(=C6C(=O)[CH](C(=O)OC)C(=C56)C7=NC(=Cc4c(C)c3C=O)[CH](C)[CH]7CCC(=O)OCC=C(C)CCC[CH](C)CCC[CH](C)CCCC(C)C)C | InChi: | InChI=1S/C54H71N4O6.Mg/c1-12-38-34(7)42-27-46-40(29-59)36(9)41(56-46)26-43-35(8)39(51(57-43)49-50(54(62)63-11)53(61)48-37(10)44(58-52(48)49)28-45(38)55-42)22-23-47(60)64-25-24-33(6)21-15-20-32(5)19-14-18-31(4)17-13-16-30(2)3 | Definition date: | 2020-08-07 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 |
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| GF3 | Name: | spiro[1H-2-benzofuran-3,4'-piperidine] | Formula: | C12 H15 N O | SMILES: | C1CC2(CCN1)OCc3ccccc23 | InChi: | InChI=1S/C12H15NO/c1-2-4-11-10(3-1)9-14-12(11)5-7-13-8-6-12/h1-4,13H,5-9H2 | Definition date: | 2020-08-26 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | spiro[1~{H}-2-benzofuran-3,4'-piperidine] |
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| GGF | Name: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one | Formula: | C20 H22 F2 N10 O12 P2 | SMILES: | NC1=Nc2n(cnc2C(=O)N1)[CH]3O[CH]4CO[P](O)(=O)O[CH]5[CH](F)[CH](O[CH]5CO[P](O)(=O)O[CH]4[CH]3F)n6cnc7C(=O)NC(=Nc67)N | InChi: | InChI=1S/C20H22F2N10O12P2/c21-7-11-5(41-17(7)31-3-25-9-13(31)27-19(23)29-15(9)33)1-39-45(35,36)44-12-6(2-40-46(37,38)43-11)42-18(8(12)22)32-4-26-10-14(32)28-20(24)30-16(10)34/h3-8,11-12,17-18H,1-2H2,(H,35,36)(H,37,38)(H3,23,27,29,33)(H3,24,28,30,34)/t5-,6-,7-,8-,11-,12-,17-,18-/m1/s1 | Definition date: | 2020-03-20 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 2-azanyl-9-[(1~{R},6~{R},8~{R},9~{R},10~{R},15~{R},17~{R},18~{R})-17-(2-azanyl-6-oxidanylidene-1~{H}-purin-9-yl)-9,18-bis(fluoranyl)-3,12-bis(oxidanyl)-3,12-bis(oxidanylidene)-2,4,7,11,13,16-hexaoxa-3$l^{5},12$l^{5}-diphosphatricyclo[13.3.0.0^{6,10}]octadecan-8-yl]-1~{H}-purin-6-one |
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| GTU | Name: | N-[3-[(4R)-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide | Formula: | C20 H16 F N5 O2 | SMILES: | CC#C[C]1(CCOC(=N1)N)c2cc(NC(=O)c3ccc(cn3)C#N)ccc2F | InChi: | InChI=1S/C20H16FN5O2/c1-2-7-20(8-9-28-19(23)26-20)15-10-14(4-5-16(15)21)25-18(27)17-6-3-13(11-22)12-24-17/h3-6,10,12H,8-9H2,1H3,(H2,23,26)(H,25,27)/t20-/m0/s1 | Definition date: | 2020-09-24 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | ~{N}-[3-[(4~{R})-2-azanyl-4-prop-1-ynyl-5,6-dihydro-1,3-oxazin-4-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide |
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| GWR | Name: | 8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione | Formula: | C22 H20 Cl2 N4 O4 | SMILES: | CN1C(=O)N(CCCO)C(=O)c2n(Cc3ccc(Cl)cc3)c(Oc4cccc(Cl)c4)nc12 | InChi: | InChI=1S/C22H20Cl2N4O4/c1-26-19-18(20(30)27(22(26)31)10-3-11-29)28(13-14-6-8-15(23)9-7-14)21(25-19)32-17-5-2-4-16(24)12-17/h2,4-9,12,29H,3,10-11,13H2,1H3 | Definition date: | 2020-09-29 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 8-(3-chloranylphenoxy)-7-[(4-chlorophenyl)methyl]-3-methyl-1-(3-oxidanylpropyl)purine-2,6-dione |
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| GX0 | Name: | 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole | Formula: | C19 H20 Cl N3 | SMILES: | Clc1ccc(Cn2c(CN3CCCC3)nc4ccccc24)cc1 | InChi: | InChI=1S/C19H20ClN3/c20-16-9-7-15(8-10-16)13-23-18-6-2-1-5-17(18)21-19(23)14-22-11-3-4-12-22/h1-2,5-10H,3-4,11-14H2 | Synonyms: | Clemizole | Definition date: | 2020-09-29 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | 1-[(4-chlorophenyl)methyl]-2-(pyrrolidin-1-ylmethyl)benzimidazole |
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| GX6 | Name: | N-[3-[(9S)-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide | Formula: | C23 H18 F3 N5 O2 | SMILES: | CC#C[C]1(N=C(N)OCC12CC(F)(F)C2)c3cc(NC(=O)c4ccc(cn4)C#N)ccc3F | InChi: | InChI=1S/C23H18F3N5O2/c1-2-7-23(21(11-22(25,26)12-21)13-33-20(28)31-23)16-8-15(4-5-17(16)24)30-19(32)18-6-3-14(9-27)10-29-18/h3-6,8,10H,11-13H2,1H3,(H2,28,31)(H,30,32)/t23-/m1/s1 | Definition date: | 2020-10-01 | Last modified: | 2021-03-26 | Release date: | 2021-03-31 | Identifier: | ~{N}-[3-[(9~{S})-7-azanyl-2,2-bis(fluoranyl)-9-prop-1-ynyl-6-oxa-8-azaspiro[3.5]non-7-en-9-yl]-4-fluoranyl-phenyl]-5-cyano-pyridine-2-carboxamide |
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| WJV | Name: | N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea | Formula: | C20 H26 N4 O2 S | SMILES: | Cc1nc(NC(NCCOCCC(C)(C)C)=O)sc1C#Cc2ccncc2 | InChi: | InChI=1S/C20H26N4O2S/c1-15-17(6-5-16-7-10-21-11-8-16)27-19(23-15)24-18(25)22-12-14-26-13-9-20(2,3)4/h7-8,10-11H,9,12-14H2,1-4H3,(H2,22,23,24,25) | Definition date: | 2020-10-30 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | N-[2-(3,3-dimethylbutoxy)ethyl]-N'-{4-methyl-5-[(pyridin-4-yl)ethynyl]-1,3-thiazol-2-yl}urea |
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| UG1 | Name: | 5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide | Formula: | C9 H9 N5 O | SMILES: | C(c1ncn(c1N)c2ccncc2)(N)=O | InChi: | InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-1-3-12-4-2-6/h1-5H,10H2,(H2,11,15) | Definition date: | 2020-05-15 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 5-amino-1-(pyridin-4-yl)-1H-imidazole-4-carboxamide |
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| UG4 | Name: | 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide | Formula: | C9 H9 N5 O | SMILES: | c1(cccnc1)n2c(c(nc2)C(N)=O)N | InChi: | InChI=1S/C9H9N5O/c10-8-7(9(11)15)13-5-14(8)6-2-1-3-12-4-6/h1-5H,10H2,(H2,11,15) | Definition date: | 2020-05-16 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 5-amino-1-(pyridin-3-yl)-1H-imidazole-4-carboxamide |
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| S2Q | Name: | 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide | Formula: | C18 H20 N4 O4 S | SMILES: | CC(C)c1noc2ncc(cc12)C(=O)N[CH](C)c3cccc(c3)[S](N)(=O)=O | InChi: | InChI=1S/C18H20N4O4S/c1-10(2)16-15-8-13(9-20-18(15)26-22-16)17(23)21-11(3)12-5-4-6-14(7-12)27(19,24)25/h4-11H,1-3H3,(H,21,23)(H2,19,24,25)/t11-/m1/s1 | Definition date: | 2020-11-06 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 3-propan-2-yl-~{N}-[(1~{R})-1-(3-sulfamoylphenyl)ethyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide |
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| S2W | Name: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine | Formula: | C18 H17 F3 N4 | SMILES: | C[CH](Nc1nc(C)nc2ccccc12)c3cc(N)cc(c3)C(F)(F)F | InChi: | InChI=1S/C18H17F3N4/c1-10(12-7-13(18(19,20)21)9-14(22)8-12)23-17-15-5-3-4-6-16(15)24-11(2)25-17/h3-10H,22H2,1-2H3,(H,23,24,25)/t10-/m1/s1 | Definition date: | 2020-11-06 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-2-methyl-quinazolin-4-amine |
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| S2Z | Name: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine | Formula: | C19 H21 N3 O2 | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3ccccc3)c2cc1OC | InChi: | InChI=1S/C19H21N3O2/c1-12(14-8-6-5-7-9-14)20-19-15-10-17(23-3)18(24-4)11-16(15)21-13(2)22-19/h5-12H,1-4H3,(H,20,21,22)/t12-/m1/s1 | Definition date: | 2020-11-06 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine |
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| S3Q | Name: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine | Formula: | C20 H20 F3 N3 O2 | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cccc(c3)C(F)(F)F)c2cc1OC | InChi: | InChI=1S/C20H20F3N3O2/c1-11(13-6-5-7-14(8-13)20(21,22)23)24-19-15-9-17(27-3)18(28-4)10-16(15)25-12(2)26-19/h5-11H,1-4H3,(H,24,25,26)/t11-/m1/s1 | Definition date: | 2020-11-06 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 6,7-dimethoxy-2-methyl-~{N}-[(1~{R})-1-[3-(trifluoromethyl)phenyl]ethyl]quinazolin-4-amine |
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| S3T | Name: | ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | Formula: | C19 H22 N4 O2 | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cccc(N)c3)c2cc1OC | InChi: | InChI=1S/C19H22N4O2/c1-11(13-6-5-7-14(20)8-13)21-19-15-9-17(24-3)18(25-4)10-16(15)22-12(2)23-19/h5-11H,20H2,1-4H3,(H,21,22,23)/t11-/m1/s1 | Definition date: | 2020-11-06 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | ~{N}-[(1~{R})-1-(3-aminophenyl)ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine |
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| S3Z | Name: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine | Formula: | C20 H21 F3 N4 O2 | SMILES: | COc1cc2nc(C)nc(N[CH](C)c3cc(N)cc(c3)C(F)(F)F)c2cc1OC | InChi: | InChI=1S/C20H21F3N4O2/c1-10(12-5-13(20(21,22)23)7-14(24)6-12)25-19-15-8-17(28-3)18(29-4)9-16(15)26-11(2)27-19/h5-10H,24H2,1-4H3,(H,25,26,27)/t10-/m1/s1 | Definition date: | 2020-11-06 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | ~{N}-[(1~{R})-1-[3-azanyl-5-(trifluoromethyl)phenyl]ethyl]-6,7-dimethoxy-2-methyl-quinazolin-4-amine |
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| W97 | Name: | 6-ethynyl-1-(pentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-ol | Formula: | C12 H14 N4 O | SMILES: | C#Cc1cnc2c(n1)n(c(n2)O)C(CC)CC | InChi: | InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17) | Definition date: | 2020-10-01 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 6-ethynyl-1-(pentan-3-yl)-1H-imidazo[4,5-b]pyrazin-2-ol |
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| SYW | Name: | (R)-6-((2-methyl-4-(1-methyl-1H-indole-5-carbonyl)piperazin-1-yl)sulfonyl)benzo[d]oxazol-2(3H)-one | Formula: | C22 H22 N4 O5 S | SMILES: | C[CH]1CN(CCN1[S](=O)(=O)c2ccc3NC(=O)Oc3c2)C(=O)c4ccc5n(C)ccc5c4 | InChi: | InChI=1S/C22H22N4O5S/c1-14-13-25(21(27)16-3-6-19-15(11-16)7-8-24(19)2)9-10-26(14)32(29,30)17-4-5-18-20(12-17)31-22(28)23-18/h3-8,11-12,14H,9-10,13H2,1-2H3,(H,23,28)/t14-/m1/s1 | Synonyms: | 6-[(2~{R})-2-methyl-4-(1-methylindol-5-yl)carbonyl-piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one | Definition date: | 2020-12-08 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 6-[(2~{R})-2-methyl-4-(1-methylindol-5-yl)carbonyl-piperazin-1-yl]sulfonyl-3~{H}-1,3-benzoxazol-2-one |
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| UL8 | Name: | ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide | Formula: | C20 H22 N4 O2 | SMILES: | CCNC(=O)c1ccc(O[CH](C)c2ccccc2)c(c1)c3cn(C)nn3 | InChi: | InChI=1S/C20H22N4O2/c1-4-21-20(25)16-10-11-19(17(12-16)18-13-24(3)23-22-18)26-14(2)15-8-6-5-7-9-15/h5-14H,4H2,1-3H3,(H,21,25)/t14-/m0/s1 | Definition date: | 2021-03-01 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-[(1~{S})-1-phenylethoxy]benzamide |
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| ULB | Name: | 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole | Formula: | C16 H15 N3 O | SMILES: | Cc1[nH]c(nn1)c2ccccc2OCc3ccccc3 | InChi: | InChI=1S/C16H15N3O/c1-12-17-16(19-18-12)14-9-5-6-10-15(14)20-11-13-7-3-2-4-8-13/h2-10H,11H2,1H3,(H,17,18,19) | Definition date: | 2021-03-01 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 3-methyl-5-(2-phenylmethoxyphenyl)-4~{H}-1,2,4-triazole |
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| UM5 | Name: | N-ethyl-3-(1-methyl-1H-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide | Formula: | C18 H19 N5 O2 | SMILES: | CCNC(=O)c1ccc(OCc2ccccn2)c(c1)c3cn(C)nn3 | InChi: | InChI=1S/C18H19N5O2/c1-3-19-18(24)13-7-8-17(25-12-14-6-4-5-9-20-14)15(10-13)16-11-23(2)22-21-16/h4-11H,3,12H2,1-2H3,(H,19,24) | Synonyms: | ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide | Definition date: | 2021-03-02 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | ~{N}-ethyl-3-(1-methyl-1,2,3-triazol-4-yl)-4-(pyridin-2-ylmethoxy)benzamide |
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| UM8 | Name: | 2-benzyl-N-cyclopropyl-6-(1-methyl-1H-1,2,3-triazol-4-yl)isonicotinamide | Formula: | C19 H19 N5 O | SMILES: | Cn1cc(nn1)c2cc(cc(Cc3ccccc3)n2)C(=O)NC4CC4 | InChi: | InChI=1S/C19H19N5O/c1-24-12-18(22-23-24)17-11-14(19(25)21-15-7-8-15)10-16(20-17)9-13-5-3-2-4-6-13/h2-6,10-12,15H,7-9H2,1H3,(H,21,25) | Synonyms: | ~{N}-cyclopropyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(phenylmethyl)pyridine-4-carboxamide | Definition date: | 2021-03-02 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | ~{N}-cyclopropyl-2-(1-methyl-1,2,3-triazol-4-yl)-6-(phenylmethyl)pyridine-4-carboxamide |
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| UMB | Name: | 6-benzyl-N4-((1r,3r)-3-hydroxycyclobutyl)-N2-methylpyridine-2,4-dicarboxamide | Formula: | C19 H21 N3 O3 | SMILES: | CNC(=O)c1cc(cc(Cc2ccccc2)n1)C(=O)N[CH]3C[CH](O)C3 | InChi: | InChI=1S/C19H21N3O3/c1-20-19(25)17-9-13(18(24)22-15-10-16(23)11-15)8-14(21-17)7-12-5-3-2-4-6-12/h2-6,8-9,15-16,23H,7,10-11H2,1H3,(H,20,25)(H,22,24)/t15-,16- | Synonyms: | ~{N}2-methyl-~{N}4-(3-oxidanylcyclobutyl)-6-(phenylmethyl)pyridine-2,4-dicarboxamide | Definition date: | 2021-03-02 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | ~{N}2-methyl-~{N}4-(3-oxidanylcyclobutyl)-6-(phenylmethyl)pyridine-2,4-dicarboxamide |
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| YNJ | Name: | 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid | Formula: | C25 H34 Cl2 O4 | SMILES: | O=C(O)CCCCCCOc1cc2CC(CCCC)(C(=O)c2c(Cl)c1Cl)C1CCCC1 | InChi: | InChI=1S/C25H34Cl2O4/c1-2-3-13-25(18-10-7-8-11-18)16-17-15-19(22(26)23(27)21(17)24(25)30)31-14-9-5-4-6-12-20(28)29/h15,18H,2-14,16H2,1H3,(H,28,29)/t25-/m0/s1 | Definition date: | 2021-03-15 | Last modified: | 2021-03-19 | Release date: | 2021-03-24 | Identifier: | 7-{[(2S)-2-butyl-6,7-dichloro-2-cyclopentyl-1-oxo-2,3-dihydro-1H-inden-5-yl]oxy}heptanoic acid |
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