| RIX | Name: | methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate | Formula: | C11 H8 Cl N O3 | SMILES: | COC(=O)C(=O)n1ccc2c(Cl)cccc12 | InChi: | InChI=1S/C11H8ClNO3/c1-16-11(15)10(14)13-6-5-7-8(12)3-2-4-9(7)13/h2-6H,1H3 | Definition date: | 2022-11-30 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | methyl 2-(4-chloranylindol-1-yl)-2-oxidanylidene-ethanoate |
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| N36 | Name: | 3-ethoxy-4-hydroxybenzaldehyde | Formula: | C9 H10 O3 | SMILES: | CCOc1cc(ccc1O)C=O | InChi: | InChI=1S/C9H10O3/c1-2-12-9-5-7(6-10)3-4-8(9)11/h3-6,11H,2H2,1H3 | Synonyms: | Ethyl vanillin | Definition date: | 2022-03-23 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 3-ethoxy-4-hydroxybenzaldehyde |
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| E1I | Name: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide | Formula: | C30 H28 Cl N9 O4 | SMILES: | N#Cc1cc(cc(C)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2)c2N=C(c3cn(C)nc3)N(C)C(=O)c12 | InChi: | InChI=1S/C30H28ClN9O4/c1-17-8-18(9-19(11-32)27(17)42)21-15-40(29-26(21)30(43)38(3)28(36-29)20-12-34-37(2)14-20)16-25(41)35-23-10-24(33-13-22(23)31)39-4-6-44-7-5-39/h8-10,12-15,42H,4-7,16H2,1-3H3,(H,33,35,41) | Definition date: | 2021-12-01 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | N-[5-chloro-2-(morpholin-4-yl)pyridin-4-yl]-2-[5-(3-cyano-4-hydroxy-5-methylphenyl)-3-methyl-2-(1-methyl-1H-pyrazol-4-yl)-4-oxo-3,4-dihydro-7H-pyrrolo[2,3-d]pyrimidin-7-yl]acetamide |
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| E2E | Name: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide | Formula: | C26 H23 Cl2 F N6 O4 | SMILES: | NC(=O)c1cc(cc(Cl)c1O)c1cn(CC(=O)Nc2cc(ncc2Cl)N2CCOCC2C)c2nccc(F)c21 | InChi: | InChI=1S/C26H23Cl2FN6O4/c1-13-12-39-5-4-35(13)21-8-20(18(28)9-32-21)33-22(36)11-34-10-16(23-19(29)2-3-31-26(23)34)14-6-15(25(30)38)24(37)17(27)7-14/h2-3,6-10,13,37H,4-5,11-12H2,1H3,(H2,30,38)(H,32,33,36)/t13-/m0/s1 | Definition date: | 2021-12-01 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | 3-chloro-5-{1-[2-({5-chloro-2-[(3S)-3-methylmorpholin-4-yl]pyridin-4-yl}amino)-2-oxoethyl]-4-fluoro-1H-pyrrolo[2,3-b]pyridin-3-yl}-2-hydroxybenzamide |
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| AKQ | Name: | (2S,4R)-1-acetyl-4-((5-chloropyrimidin-2-yl)amino)-2-methyl-1,2,3,4-tetrahydroquinoline-6-carboxamide | Formula: | C17 H18 Cl N5 O2 | SMILES: | C[CH]1C[CH](Nc2ncc(Cl)cn2)c3cc(ccc3N1C(C)=O)C(N)=O | InChi: | InChI=1S/C17H18ClN5O2/c1-9-5-14(22-17-20-7-12(18)8-21-17)13-6-11(16(19)25)3-4-15(13)23(9)10(2)24/h3-4,6-9,14H,5H2,1-2H3,(H2,19,25)(H,20,21,22)/t9-,14+/m0/s1 | Synonyms: | (2S,4R)-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2H-quinoline-6-carboxamide | Definition date: | 2021-11-30 | Last modified: | 2022-12-09 | Release date: | 2022-12-14 | Identifier: | (2~{S},4~{R})-4-[(5-chloranylpyrimidin-2-yl)amino]-1-ethanoyl-2-methyl-3,4-dihydro-2~{H}-quinoline-6-carboxamide |
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| OL0 | Name: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione | Formula: | C36 H38 N6 O5 | SMILES: | CN1CCOCCOCC=Cc2cnc3NC(=O)[C]4(Cc5ccc(cc5C4)C(=O)N[CH](Cc6cc(C)c7n(C)ncc7c6)C1=O)c3c2 | InChi: | InChI=1S/C36H38N6O5/c1-22-13-24(14-28-21-38-42(3)31(22)28)16-30-34(44)41(2)8-10-47-12-11-46-9-4-5-23-15-29-32(37-20-23)40-35(45)36(29)18-26-7-6-25(33(43)39-30)17-27(26)19-36/h4-7,13-15,17,20-21,30H,8-12,16,18-19H2,1-3H3,(H,39,43)(H,37,40,45)/b5-4+/t30-,36+/m1/s1 | Definition date: | 2022-09-14 | Last modified: | 2022-12-02 | Release date: | 2022-12-07 | Identifier: | (1~{S},10~{R},20~{E})-10-[(1,7-dimethylindazol-5-yl)methyl]-12-methyl-15,18-dioxa-9,12,24,26-tetrazapentacyclo[20.5.2.1^{1,4}.1^{3,7}.0^{25,28}]hentriaconta-3(30),4,6,20,22,24,28-heptaene-8,11,27-trione |
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| X3W | Name: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide | Formula: | C22 H27 N5 O4 | SMILES: | CC(C)C1COC(=O)N1c1nc2c3ccc(cc3OCCn2c1)N1CCCC1C(N)=O | InChi: | InChI=1S/C22H27N5O4/c1-13(2)17-12-31-22(29)27(17)19-11-25-8-9-30-18-10-14(5-6-15(18)21(25)24-19)26-7-3-4-16(26)20(23)28/h5-6,10-11,13,16-17H,3-4,7-9,12H2,1-2H3,(H2,23,28)/t16-,17-/m0/s1 | Definition date: | 2022-10-26 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 1-{(4S,11aM)-2-[(4R)-2-oxo-4-(propan-2-yl)-1,3-oxazolidin-3-yl]-5,6-dihydroimidazo[1,2-d][1,4]benzoxazepin-9-yl}-L-prolinamide |
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| QAX | Name: | 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol | Formula: | C17 H23 N3 O3 | SMILES: | Oc1ncnc2cc(OCCCN3CCCCC3)c(OC)cc21 | InChi: | InChI=1S/C17H23N3O3/c1-22-15-10-13-14(18-12-19-17(13)21)11-16(15)23-9-5-8-20-6-3-2-4-7-20/h10-12H,2-9H2,1H3,(H,18,19,21) | Definition date: | 2022-06-05 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 6-methoxy-7-[3-(piperidin-1-yl)propoxy]quinazolin-4-ol |
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| QB3 | Name: | 6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol | Formula: | C16 H21 N3 O3 | SMILES: | CN1CCC(COc2cc3ncnc(O)c3cc2OC)CC1 | InChi: | InChI=1S/C16H21N3O3/c1-19-5-3-11(4-6-19)9-22-15-8-13-12(7-14(15)21-2)16(20)18-10-17-13/h7-8,10-11H,3-6,9H2,1-2H3,(H,17,18,20) | Definition date: | 2022-06-05 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-ol |
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| QEU | Name: | 4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol | Formula: | C18 H26 N4 O3 | SMILES: | COc1cc2c(cc1OC)ncnc2N1CCN(CCCCO)CC1 | InChi: | InChI=1S/C18H26N4O3/c1-24-16-11-14-15(12-17(16)25-2)19-13-20-18(14)22-8-6-21(7-9-22)5-3-4-10-23/h11-13,23H,3-10H2,1-2H3 | Definition date: | 2022-06-07 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 4-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]butan-1-ol |
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| A7X | Name: | 4-[(E)-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid | Formula: | C17 H14 N2 O3 | SMILES: | CN1C(=O)C(=Cc2ccc(cc2)C(O)=O)c3ccc(N)cc13 | InChi: | InChI=1S/C17H14N2O3/c1-19-15-9-12(18)6-7-13(15)14(16(19)20)8-10-2-4-11(5-3-10)17(21)22/h2-9H,18H2,1H3,(H,21,22)/b14-8+ | Synonyms: | (E)-4-((6-amino-1-methyl-2-oxoindolin-3-ylidene)methyl)benzoic acid | Definition date: | 2021-11-25 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 4-[(~{E})-(6-azanyl-1-methyl-2-oxidanylidene-indol-3-ylidene)methyl]benzoic acid |
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| AI0 | Name: | 1-(8-oxidanylquinolin-2-yl)-N-(phenylmethyl)methanimine oxide | Formula: | C17 H14 N2 O2 | SMILES: | Oc1cccc2ccc(C=[N+]([O-])Cc3ccccc3)nc12 | InChi: | InChI=1S/C17H14N2O2/c20-16-8-4-7-14-9-10-15(18-17(14)16)12-19(21)11-13-5-2-1-3-6-13/h1-10,12,20H,11H2/b19-12- | Synonyms: | (Z)-N-benzyl-1-(8-hydroxyquinolin-2-yl)methanimine oxide | Definition date: | 2021-11-26 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 1-(8-oxidanylquinolin-2-yl)-~{N}-(phenylmethyl)methanimine oxide |
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| AI6 | Name: | N-tert-butyl-1-[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanimine oxide | Formula: | C24 H32 N4 O2 | SMILES: | CC(C)(C)[N+]([O-])=Cc1ccc2cccc(OCCCN3CCN(CC3)CC#C)c2n1 | InChi: | InChI=1S/C24H32N4O2/c1-5-12-26-14-16-27(17-15-26)13-7-18-30-22-9-6-8-20-10-11-21(25-23(20)22)19-28(29)24(2,3)4/h1,6,8-11,19H,7,12-18H2,2-4H3/b28-19- | Synonyms: | (Z)-N-tert-butyl-1-(8-(3-(4-(prop-2-yn-1-yl)piperazin-1-yl)propoxy)quinolin-2-yl)methanimine oxide | Definition date: | 2021-11-26 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | ~{N}-~{tert}-butyl-1-[8-[3-(4-prop-2-ynylpiperazin-1-yl)propoxy]quinolin-2-yl]methanimine oxide |
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| JM3 | Name: | 5-(morpholin-4-ylmethyl)quinolin-8-ol | Formula: | C14 H16 N2 O2 | SMILES: | Oc1ccc(CN2CCOCC2)c3cccnc13 | InChi: | InChI=1S/C14H16N2O2/c17-13-4-3-11(10-16-6-8-18-9-7-16)12-2-1-5-15-14(12)13/h1-5,17H,6-10H2 | Definition date: | 2022-05-05 | Last modified: | 2022-11-25 | Release date: | 2022-11-30 | Identifier: | 5-(morpholin-4-ylmethyl)quinolin-8-ol |
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| ZRT | Name: | N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide | Formula: | C30 H36 N8 O3 | SMILES: | CN(C)Cc1cn(nc1c1ccccc1)c1nc(ncc1)Nc1cc(NC(=O)CC)c(cc1OC)N1CCOCC1 | InChi: | InChI=1S/C30H36N8O3/c1-5-28(39)32-23-17-24(26(40-4)18-25(23)37-13-15-41-16-14-37)33-30-31-12-11-27(34-30)38-20-22(19-36(2)3)29(35-38)21-9-7-6-8-10-21/h6-12,17-18,20H,5,13-16,19H2,1-4H3,(H,32,39)(H,31,33,34) | Synonyms: | lazertinib, bound form | Definition date: | 2022-04-18 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | N-[5-{[(4P)-4-{4-[(dimethylamino)methyl]-3-phenyl-1H-pyrazol-1-yl}pyrimidin-2-yl]amino}-4-methoxy-2-(morpholin-4-yl)phenyl]propanamide |
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| KGL | Name: | (1^4Z,5^2E)-6^3-(trifluoromethyl)-5^1,5^6-dihydro-1^1H-8-aza-2(3,6)-quinolina-5(1,3)-pyridazina-1(4,1)-pyrazola-6(1,4)-benzenacyclododecaphane-5^6,7-dione | Formula: | C30 H25 F3 N6 O2 | SMILES: | FC(F)(F)c1cc2ccc1C(=O)NCCCCn3cc(cn3)c4cnc5ccc(CC[N]6N=C2C=CC6=O)cc5c4 | InChi: | InChI=1S/C30H25F3N6O2/c31-30(32,33)25-15-20-4-5-24(25)29(41)34-10-1-2-11-38-18-23(17-36-38)22-14-21-13-19(3-6-26(21)35-16-22)9-12-39-28(40)8-7-27(20)37-39/h3-8,13-18H,1-2,9-12H2,(H,34,41) | Definition date: | 2022-09-20 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 |
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| QIA | Name: | 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid | Formula: | C19 H14 N4 O2 | SMILES: | OC(=O)c1ccc2c(c1)nc(NCc3ccccc3)c4ncncc24 | InChi: | InChI=1S/C19H14N4O2/c24-19(25)13-6-7-14-15-10-20-11-22-17(15)18(23-16(14)8-13)21-9-12-4-2-1-3-5-12/h1-8,10-11H,9H2,(H,21,23)(H,24,25) | Definition date: | 2022-10-31 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 5-[(phenylmethyl)amino]pyrimido[4,5-c]quinoline-8-carboxylic acid |
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| M19 | Name: | 4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol | Formula: | C15 H11 Cl F N3 O3 | SMILES: | Clc1cc(Nc2ncnc3cc(OC)c(O)cc32)c(O)cc1F | InChi: | InChI=1S/C15H11ClFN3O3/c1-23-14-5-10-7(2-13(14)22)15(19-6-18-10)20-11-3-8(16)9(17)4-12(11)21/h2-6,21-22H,1H3,(H,18,19,20) | Definition date: | 2022-03-11 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 4-(5-chloro-4-fluoro-2-hydroxyanilino)-7-methoxyquinazolin-6-ol |
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| E3J | Name: | ~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide | Formula: | C13 H18 N2 O2 S | SMILES: | Sc1ccccc1C(=O)NCCN2CCOCC2 | InChi: | InChI=1S/C13H18N2O2S/c16-13(11-3-1-2-4-12(11)18)14-5-6-15-7-9-17-10-8-15/h1-4,18H,5-10H2,(H,14,16) | Definition date: | 2021-12-23 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | ~{N}-(2-morpholin-4-ylethyl)-2-sulfanyl-benzamide |
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| I90 | Name: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one | Formula: | C25 H20 N6 O3 | SMILES: | Cn1cc(cn1)c2cnc3ccc(CCN4N=C(C=CC4=O)c5cccc(c5)[N+]([O-])=O)cc3c2 | InChi: | InChI=1S/C25H20N6O3/c1-29-16-21(15-27-29)20-12-19-11-17(5-6-23(19)26-14-20)9-10-30-25(32)8-7-24(28-30)18-3-2-4-22(13-18)31(33)34/h2-8,11-16H,9-10H2,1H3 | Definition date: | 2022-06-17 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | 2-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-(3-nitrophenyl)pyridazin-3-one |
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| I94 | Name: | ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide | Formula: | C28 H23 F3 N6 O2 | SMILES: | CNC(=O)c1ccc(cc1C(F)(F)F)C2=NN(CCc3ccc4ncc(cc4c3)c5cnn(C)c5)C(=O)C=C2 | InChi: | InChI=1S/C28H23F3N6O2/c1-32-27(39)22-5-4-18(13-23(22)28(29,30)31)25-7-8-26(38)37(35-25)10-9-17-3-6-24-19(11-17)12-20(14-33-24)21-15-34-36(2)16-21/h3-8,11-16H,9-10H2,1-2H3,(H,32,39) | Definition date: | 2022-06-17 | Last modified: | 2022-11-18 | Release date: | 2022-11-23 | Identifier: | ~{N}-methyl-4-[1-[2-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-6-oxidanylidene-pyridazin-3-yl]-2-(trifluoromethyl)benzamide |
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| K4X | Name: | 2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid | Formula: | C16 H16 F3 N3 O3 S | SMILES: | C[CH]1CCc2nc(SCC(=O)NCC(O)=O)c(C#N)c(c2C1)C(F)(F)F | InChi: | InChI=1S/C16H16F3N3O3S/c1-8-2-3-11-9(4-8)14(16(17,18)19)10(5-20)15(22-11)26-7-12(23)21-6-13(24)25/h8H,2-4,6-7H2,1H3,(H,21,23)(H,24,25)/t8-/m0/s1 | Definition date: | 2022-05-19 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 2-[2-[[(6~{S})-3-cyano-6-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]ethanoylamino]ethanoic acid |
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| TZI | Name: | [(1'R)-1'-(4-{[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone | Formula: | C32 H35 F N2 O3 | SMILES: | FCCCN1CCC(C1)COc1ccc(cc1)C1c2ccc(O)cc2CC2(CC2)N1C(=O)c1ccccc1 | InChi: | InChI=1S/C32H35FN2O3/c33-16-4-17-34-18-13-23(21-34)22-38-28-10-7-24(8-11-28)30-29-12-9-27(36)19-26(29)20-32(14-15-32)35(30)31(37)25-5-2-1-3-6-25/h1-3,5-12,19,23,30,36H,4,13-18,20-22H2/t23-,30-/m1/s1 | Definition date: | 2022-07-29 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | [(1'R)-1'-(4-{[(3R)-1-(3-fluoropropyl)pyrrolidin-3-yl]methoxy}phenyl)-6'-hydroxy-1',4'-dihydro-2'H-spiro[cyclopropane-1,3'-isoquinolin]-2'-yl](phenyl)methanone |
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| K69 | Name: | 1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one | Formula: | C17 H20 N6 O2 | SMILES: | CN1C(=O)N(C)c2cc(Nc3cc(ncn3)N4CCOCC4)ccc12 | InChi: | InChI=1S/C17H20N6O2/c1-21-13-4-3-12(9-14(13)22(2)17(21)24)20-15-10-16(19-11-18-15)23-5-7-25-8-6-23/h3-4,9-11H,5-8H2,1-2H3,(H,18,19,20) | Definition date: | 2022-05-19 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 1,3-dimethyl-5-[(6-morpholin-4-ylpyrimidin-4-yl)amino]benzimidazol-2-one |
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| OCF | Name: | 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid | Formula: | C11 H15 N2 O8 P | SMILES: | Cc1ncc(CO[P](O)(O)=O)c(C=NOCCC(O)=O)c1O | InChi: | InChI=1S/C11H15N2O8P/c1-7-11(16)9(5-13-20-3-2-10(14)15)8(4-12-7)6-21-22(17,18)19/h4-5,16H,2-3,6H2,1H3,(H,14,15)(H2,17,18,19)/b13-5+ | Synonyms: | PYRIDOXAMINE-5'-PHOSPHATE linked to 3-aminooxypropionic acid | Definition date: | 2022-09-04 | Last modified: | 2022-11-11 | Release date: | 2022-11-16 | Identifier: | 3-[(~{E})-[2-methyl-3-oxidanyl-5-(phosphonooxymethyl)pyridin-4-yl]methylideneamino]oxypropanoic acid |
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