 | | AQX | | Name: | N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide | | Formula: | C19 H13 Br F N5 O2 S | | SMILES: | Brc1ccc(cc1)NC(=O)CSC1=Nc2c(cnn2c2ccc(F)cc2)C(=O)N1 | | InChi: | InChI=1S/C19H13BrFN5O2S/c20-11-1-5-13(6-2-11)23-16(27)10-29-19-24-17-15(18(28)25-19)9-22-26(17)14-7-3-12(21)4-8-14/h1-9H,10H2,(H,23,27)(H,24,25,28) | | Definition date: | 2021-11-09 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N-(4-bromophenyl)-2-{[1-(4-fluorophenyl)-4-oxo-4,5-dihydro-1H-pyrazolo[3,4-d]pyrimidin-6-yl]sulfanyl}acetamide |
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 | | K9X | | Name: | 4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide | | Formula: | C18 H15 Br N6 O | | SMILES: | Brc1c(C(=O)Nc2ccn3cc(nc3n2)c2ccccc2)n(C)nc1C | | InChi: | InChI=1S/C18H15BrN6O/c1-11-15(19)16(24(2)23-11)17(26)21-14-8-9-25-10-13(20-18(25)22-14)12-6-4-3-5-7-12/h3-10H,1-2H3,(H,20,21,22,26) | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 4-bromo-1,3-dimethyl-N-[(4R)-2-phenylimidazo[1,2-a]pyrimidin-7-yl]-1H-pyrazole-5-carboxamide |
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 | | KA6 | | Name: | 1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-(pyrrolidin-1-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide | | Formula: | C20 H24 N8 O3 | | SMILES: | O=C(c1cnn(C)c1C(=O)Nc1cc2nc(nn2cc1)N1CCCC1)N1CCOCC1 | | InChi: | InChI=1S/C20H24N8O3/c1-25-17(15(13-21-25)19(30)26-8-10-31-11-9-26)18(29)22-14-4-7-28-16(12-14)23-20(24-28)27-5-2-3-6-27/h4,7,12-13H,2-3,5-6,8-11H2,1H3,(H,22,29) | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 1-methyl-4-(morpholine-4-carbonyl)-N-[(4S)-2-(pyrrolidin-1-yl)[1,2,4]triazolo[1,5-a]pyridin-7-yl]-1H-pyrazole-5-carboxamide |
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 | | KAU | | Name: | N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide | | Formula: | C19 H19 Cl N6 O | | SMILES: | O=C(NC1CCN(C1)c1ccc(Cl)cn1)c1nn(C)cc1c1ccncc1 | | InChi: | InChI=1S/C19H19ClN6O/c1-25-12-16(13-4-7-21-8-5-13)18(24-25)19(27)23-15-6-9-26(11-15)17-3-2-14(20)10-22-17/h2-5,7-8,10,12,15H,6,9,11H2,1H3,(H,23,27)/t15-/m1/s1 | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | N-[(3R)-1-(5-chloropyridin-2-yl)pyrrolidin-3-yl]-1-methyl-4-(pyridin-4-yl)-1H-pyrazole-3-carboxamide |
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 | | KB6 | | Name: | 3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline | | Formula: | C21 H17 F N2 O2 | | SMILES: | Fc1ccc(cc1)c1nc(CCOc2cc3ccccc3cn2)c(C)o1 | | InChi: | InChI=1S/C21H17FN2O2/c1-14-19(24-21(26-14)15-6-8-18(22)9-7-15)10-11-25-20-12-16-4-2-3-5-17(16)13-23-20/h2-9,12-13H,10-11H2,1H3 | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 3-{2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethoxy}isoquinoline |
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 | | KBL | | Name: | 6-methyl-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one | | Formula: | C21 H15 F3 N4 O2 | | SMILES: | FC(F)(F)Oc1cc(ccc1)N1N=C(C(=O)C=C1C)c1ccnn1c1ccccc1 | | InChi: | InChI=1S/C21H15F3N4O2/c1-14-12-19(29)20(18-10-11-25-28(18)15-6-3-2-4-7-15)26-27(14)16-8-5-9-17(13-16)30-21(22,23)24/h2-13H,1H3 | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 6-methyl-3-(1-phenyl-1H-pyrazol-5-yl)-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one |
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 | | KC0 | | Name: | 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile | | Formula: | C10 H7 Br N2 | | SMILES: | Brc1ccc2[nH]cc(CC#N)c2c1 | | InChi: | InChI=1S/C10H7BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3H2 | | Definition date: | 2022-05-23 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 2-(5-bromanyl-1~{H}-indol-3-yl)ethanenitrile |
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 | | KC9 | | Name: | 4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide | | Formula: | C22 H19 N5 O3 | | SMILES: | O=C(N1CCC1)c1cnn(C)c1C(=O)Nc1cccc(c1)c1nc2ccccc2o1 | | InChi: | InChI=1S/C22H19N5O3/c1-26-19(16(13-23-26)22(29)27-10-5-11-27)20(28)24-15-7-4-6-14(12-15)21-25-17-8-2-3-9-18(17)30-21/h2-4,6-9,12-13H,5,10-11H2,1H3,(H,24,28) | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 4-(azetidine-1-carbonyl)-N-[3-(1,3-benzoxazol-2-yl)phenyl]-1-methyl-1H-pyrazole-5-carboxamide |
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 | | KCF | | Name: | 4-bromanyl-~{N},~{N}-dimethyl-1$l^{4},7,9-triazabicyclo[4.3.0]nona-1,3,5-trien-8-amine | | Formula: | C8 H9 Br N4 | | SMILES: | CN(C)c1nc2cc(Br)ccn2n1 | | InChi: | InChI=1S/C8H9BrN4/c1-12(2)8-10-7-5-6(9)3-4-13(7)11-8/h3-5H,1-2H3 | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (4S)-7-bromo-N,N-dimethyl[1,2,4]triazolo[1,5-a]pyridin-2-amine |
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 | | KCU | | Name: | 4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide | | Formula: | C20 H18 Cl N5 O | | SMILES: | Clc1cnn(CCC)c1C(=O)Nc1ccc2[NH]c(nc2c1)c1ccccc1 | | InChi: | InChI=1S/C20H18ClN5O/c1-2-10-26-18(15(21)12-22-26)20(27)23-14-8-9-16-17(11-14)25-19(24-16)13-6-4-3-5-7-13/h3-9,11-12H,2,10H2,1H3,(H,23,27)(H,24,25) | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 4-chloro-N-(2-phenyl-1H-benzimidazol-5-yl)-1-propyl-1H-pyrazole-5-carboxamide |
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 | | KD4 | | Name: | 2-chloro-5-methoxy-3-methylquinoxaline | | Formula: | C10 H9 Cl N2 O | | SMILES: | COc1cccc2nc(Cl)c(C)nc12 | | InChi: | InChI=1S/C10H9ClN2O/c1-6-10(11)13-7-4-3-5-8(14-2)9(7)12-6/h3-5H,1-2H3 | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 2-chloro-5-methoxy-3-methylquinoxaline |
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 | | KD6 | | Name: | 5-bromanyl-6-chloranyl-1~{H}-indole | | Formula: | C8 H5 Br Cl N | | SMILES: | Clc1cc2[nH]ccc2cc1Br | | InChi: | InChI=1S/C8H5BrClN/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H | | Definition date: | 2022-05-24 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 5-bromanyl-6-chloranyl-1~{H}-indole |
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 | | KDC | | Name: | 7-{[(4-ethoxy-5-methylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole | | Formula: | C17 H16 N4 O S2 | | SMILES: | CCOc1cc(ncc1C)CSc1nc2ccc3ncsc3c2[NH]1 | | InChi: | InChI=1S/C17H16N4OS2/c1-3-22-14-6-11(18-7-10(14)2)8-23-17-20-12-4-5-13-16(15(12)21-17)24-9-19-13/h4-7,9H,3,8H2,1-2H3,(H,20,21) | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 7-{[(4-ethoxy-5-methylpyridin-2-yl)methyl]sulfanyl}-8H-imidazo[4,5-g][1,3]benzothiazole |
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 | | KDX | | Name: | 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one | | Formula: | C11 H9 N3 O2 | | SMILES: | COc1cccc2[NH]c3c(N=CNC3=O)c21 | | InChi: | InChI=1S/C11H9N3O2/c1-16-7-4-2-3-6-8(7)9-10(14-6)11(15)13-5-12-9/h2-5,14H,1H3,(H,12,13,15) | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 9-methoxy-3,5-dihydro-4H-pyrimido[5,4-b]indol-4-one |
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 | | KE0 | | Name: | 3-[3,5-bis(chloranyl)phenyl]propan-1-amine | | Formula: | C9 H11 Cl2 N | | SMILES: | NCCCc1cc(Cl)cc(Cl)c1 | | InChi: | InChI=1S/C9H11Cl2N/c10-8-4-7(2-1-3-12)5-9(11)6-8/h4-6H,1-3,12H2 | | Definition date: | 2022-05-24 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 3-[3,5-bis(chloranyl)phenyl]propan-1-amine |
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 | | KE6 | | Name: | 6-methyl-N-[1-(propan-2-yl)-1H-pyrazol-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide | | Formula: | C17 H19 N7 O | | SMILES: | CC(C)n1ccc(NC(=O)c2nc(C)ccc2Nc2cncnc2)n1 | | InChi: | InChI=1S/C17H19N7O/c1-11(2)24-7-6-15(23-24)22-17(25)16-14(5-4-12(3)20-16)21-13-8-18-10-19-9-13/h4-11,21H,1-3H3,(H,22,23,25) | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 6-methyl-N-[1-(propan-2-yl)-1H-pyrazol-3-yl]-3-[(pyrimidin-5-yl)amino]pyridine-2-carboxamide |
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 | | KER | | Name: | 3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one | | Formula: | C20 H11 F5 N4 O2 | | SMILES: | FC(F)(F)Oc1cccc(c1)N1C=CC(=O)C(=N1)c1ccnn1c1cc(F)ccc1F | | InChi: | InChI=1S/C20H11F5N4O2/c21-12-4-5-15(22)17(10-12)29-16(6-8-26-29)19-18(30)7-9-28(27-19)13-2-1-3-14(11-13)31-20(23,24)25/h1-11H | | Definition date: | 2022-02-03 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 3-[1-(2,5-difluorophenyl)-1H-pyrazol-5-yl]-1-[3-(trifluoromethoxy)phenyl]pyridazin-4(1H)-one |
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 | | LT0 | | Name: | D-tryptophyl-L-serine | | Formula: | C14 H17 N3 O4 | | SMILES: | N[CH](Cc1c[nH]c2ccccc12)C(=O)N[CH](CO)C(O)=O | | InChi: | InChI=1S/C14H17N3O4/c15-10(13(19)17-12(7-18)14(20)21)5-8-6-16-11-4-2-1-3-9(8)11/h1-4,6,10,12,16,18H,5,7,15H2,(H,17,19)(H,20,21)/t10-,12+/m1/s1 | | Synonyms: | (2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid | | Definition date: | 2022-07-12 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (2~{S})-2-[[(2~{R})-2-azanyl-3-(1~{H}-indol-3-yl)propanoyl]amino]-3-oxidanyl-propanoic acid |
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 | | LVL | | Name: | 2-[5-(trifluoromethyl)-1H-indol-3-yl]ethanenitrile | | Formula: | C11 H7 F3 N2 | | SMILES: | FC(F)(F)c1ccc2[nH]cc(CC#N)c2c1 | | InChi: | InChI=1S/C11H7F3N2/c12-11(13,14)8-1-2-10-9(5-8)7(3-4-15)6-16-10/h1-2,5-6,16H,3H2 | | Definition date: | 2022-07-14 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 2-[5-(trifluoromethyl)-1~{H}-indol-3-yl]ethanenitrile |
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 | | LW3 | | Name: | 2-(5-bromanyl-6-chloranyl-1H-indazol-3-yl)ethanenitrile | | Formula: | C9 H5 Br Cl N3 | | SMILES: | Clc1cc2[nH]nc(CC#N)c2cc1Br | | InChi: | InChI=1S/C9H5BrClN3/c10-6-3-5-8(1-2-12)13-14-9(5)4-7(6)11/h3-4H,1H2,(H,13,14) | | Definition date: | 2022-07-14 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 2-(5-bromanyl-6-chloranyl-1~{H}-indazol-3-yl)ethanenitrile |
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 | | 7R8 | | Name: | 6-oxidanylnaphthalene-2-carboximidamide | | Formula: | C11 H10 N2 O | | SMILES: | NC(=N)c1ccc2cc(O)ccc2c1 | | InChi: | InChI=1S/C11H10N2O/c12-11(13)9-2-1-8-6-10(14)4-3-7(8)5-9/h1-6,14H,(H3,12,13) | | Definition date: | 2021-10-14 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 6-oxidanylnaphthalene-2-carboximidamide |
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 | | B9I | | Name: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid | | Formula: | C26 H20 O11 | | SMILES: | O[CH]1[CH](O)[CH](O[CH]([CH]1O)C(O)=O)Oc2ccc3c(Oc4cc(O)ccc4[C]35OC(=O)c6ccccc56)c2 | | InChi: | InChI=1S/C26H20O11/c27-11-5-7-15-17(9-11)35-18-10-12(34-25-21(30)19(28)20(29)22(36-25)23(31)32)6-8-16(18)26(15)14-4-2-1-3-13(14)24(33)37-26/h1-10,19-22,25,27-30H,(H,31,32)/t19-,20-,21+,22-,25+,26+/m0/s1 | | Definition date: | 2021-12-07 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | (2~{S},3~{S},4~{S},5~{R},6~{S})-3,4,5-tris(oxidanyl)-6-[(1~{R})-6'-oxidanyl-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-3'-yl]oxy-oxane-2-carboxylic acid |
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 | | J6I | | Name: | 2-amino-4-{[(1S)-cyclohex-2-en-1-yl]oxy}quinoline-3-carbonitrile | | Formula: | C16 H15 N3 O | | SMILES: | N#Cc1c(OC2C=CCCC2)c2ccccc2nc1N | | InChi: | InChI=1S/C16H15N3O/c17-10-13-15(20-11-6-2-1-3-7-11)12-8-4-5-9-14(12)19-16(13)18/h2,4-6,8-9,11H,1,3,7H2,(H2,18,19)/t11-/m1/s1 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 2-amino-4-{[(1S)-cyclohex-2-en-1-yl]oxy}quinoline-3-carbonitrile |
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 | | J7M | | Name: | 4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one | | Formula: | C19 H19 N3 O2 | | SMILES: | Cn1c2ccccc2nc1CCN1CCOc2ccccc2C1=O | | InChi: | InChI=1S/C19H19N3O2/c1-21-16-8-4-3-7-15(16)20-18(21)10-11-22-12-13-24-17-9-5-2-6-14(17)19(22)23/h2-9H,10-13H2,1H3 | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 4-[2-(1-methyl-1H-benzimidazol-2-yl)ethyl]-3,4-dihydro-1,4-benzoxazepin-5(2H)-one |
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 | | J8J | | Name: | 5-[(5-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide | | Formula: | C26 H23 N5 O4 | | SMILES: | O=C(NC1COC1)c1cc2[NH]c(nc2cc1NC(=O)C1=CC(=CNC1=O)C1CC1)c1ccccc1 | | InChi: | InChI=1S/C26H23N5O4/c32-24-19(8-16(11-27-24)14-6-7-14)26(34)31-20-10-22-21(9-18(20)25(33)28-17-12-35-13-17)29-23(30-22)15-4-2-1-3-5-15/h1-5,8-11,14,17H,6-7,12-13H2,(H,27,32)(H,28,33)(H,29,30)(H,31,34) | | Definition date: | 2022-02-01 | | Last modified: | 2022-10-07 | | Release date: | 2022-10-12 | | Identifier: | 5-[(5-cyclopropyl-2-oxo-1,2-dihydropyridine-3-carbonyl)amino]-N-(oxetan-3-yl)-2-phenyl-1H-benzimidazole-6-carboxamide |
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