 | | G5U | | Name: | N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide | | Formula: | C27 H42 N6 O3 | | SMILES: | CC(C)N1CCC(Nc2nc(NC(=O)CC)nc3cc(OCCCN4CCCC4)c(OC)cc32)CC1 | | InChi: | InChI=1S/C27H42N6O3/c1-5-25(34)30-27-29-22-18-24(36-16-8-13-32-11-6-7-12-32)23(35-4)17-21(22)26(31-27)28-20-9-14-33(15-10-20)19(2)3/h17-20H,5-16H2,1-4H3,(H2,28,29,30,31,34) | | Definition date: | 2021-12-16 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | N-(6-methoxy-4-{[1-(propan-2-yl)piperidin-4-yl]amino}-7-[3-(pyrrolidin-1-yl)propoxy]quinazolin-2-yl)propanamide |
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 | | GCI | | Name: | N-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide | | Formula: | C34 H38 N6 O9 S2 | | SMILES: | COc1ccc(cc1)[S](=O)(=O)N(CC(N)=O)c2ccc(N(CC(N)=O)[S](=O)(=O)c3ccc(NC(=O)CCN4CCOCC4)cc3)c5ccccc25 | | InChi: | InChI=1S/C34H38N6O9S2/c1-48-25-8-12-27(13-9-25)51(46,47)40(23-33(36)42)31-15-14-30(28-4-2-3-5-29(28)31)39(22-32(35)41)50(44,45)26-10-6-24(7-11-26)37-34(43)16-17-38-18-20-49-21-19-38/h2-15H,16-23H2,1H3,(H2,35,41)(H2,36,42)(H,37,43) | | Definition date: | 2022-05-06 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | ~{N}-[4-[(2-azanyl-2-oxidanylidene-ethyl)-[4-[(2-azanyl-2-oxidanylidene-ethyl)-(4-methoxyphenyl)sulfonyl-amino]naphthalen-1-yl]sulfamoyl]phenyl]-3-morpholin-4-yl-propanamide |
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 | | H8I | | Name: | [2-(2,5-Dichloro-phenoxy)-pyridin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)-methanone | | Formula: | C21 H16 Cl2 N2 O2 | | SMILES: | Clc1ccc(Cl)c(Oc2ncccc2C(=O)N3CCCc4ccccc34)c1 | | InChi: | InChI=1S/C21H16Cl2N2O2/c22-15-9-10-17(23)19(13-15)27-20-16(7-3-11-24-20)21(26)25-12-4-6-14-5-1-2-8-18(14)25/h1-3,5,7-11,13H,4,6,12H2 | | Definition date: | 2022-05-20 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | [2-[2,5-bis(chloranyl)phenoxy]pyridin-3-yl]-(3,4-dihydro-2~{H}-quinolin-1-yl)methanone |
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 | | 2I7 | | Name: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol | | Formula: | C25 H30 N4 O4 | | SMILES: | Cc1cc(cc(c1)NCc1cc(CN2CC(O)C(O)C(O)C2CO)ccc1)c1ncccn1 | | InChi: | InChI=1S/C25H30N4O4/c1-16-8-19(25-26-6-3-7-27-25)11-20(9-16)28-12-17-4-2-5-18(10-17)13-29-14-22(31)24(33)23(32)21(29)15-30/h2-11,21-24,28,30-33H,12-15H2,1H3/t21-,22+,23-,24-/m1/s1 | | Definition date: | 2021-06-28 | | Last modified: | 2022-07-01 | | Release date: | 2022-07-06 | | Identifier: | (2R,3R,4R,5S)-2-(hydroxymethyl)-1-[(3-{[3-methyl-5-(pyrimidin-2-yl)anilino]methyl}phenyl)methyl]piperidine-3,4,5-triol |
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 | | P4V | | Name: | rotundine | | Formula: | C21 H25 N O4 | | SMILES: | COc1c2CN3CCc4cc(OC)c(OC)cc4C3Cc2ccc1OC | | InChi: | InChI=1S/C21H25NO4/c1-23-18-6-5-13-9-17-15-11-20(25-3)19(24-2)10-14(15)7-8-22(17)12-16(13)21(18)26-4/h5-6,10-11,17H,7-9,12H2,1-4H3/t17-/m1/s1 | | Definition date: | 2022-05-24 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | (7R,13aR)-2,3,9,10-tetramethoxy-5,8,13,13a-tetrahydro-6H-isoquinolino[3,2-a]isoquinoline |
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 | | 08N | | Name: | noscapine | | Formula: | C22 H23 N O7 | | SMILES: | COc1c2OCOc2cc2CCN(C)C(C3OC(=O)c4c(OC)c(ccc43)OC)c12 | | InChi: | InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1 | | Synonyms: | (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one | | Definition date: | 2021-06-07 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | (3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-5,6,7,8-tetrahydro-2H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-2-benzofuran-1(3H)-one |
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 | | 08V | | Name: | glaucine | | Formula: | C21 H25 N O4 | | SMILES: | COc1cc2c(CC3c4c(CCN3C)cc(OC)c(OC)c24)cc1OC | | InChi: | InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3/t15-/m0/s1 | | Synonyms: | (6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline | | Definition date: | 2021-06-07 | | Last modified: | 2022-06-24 | | Release date: | 2022-06-29 | | Identifier: | (6aS,11aM)-1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline |
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 | | HWP | | Name: | [(E,2S,3R)-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate | | Formula: | C39 H79 N2 O6 P | | SMILES: | CCCCCCCCCCCCCCCC(=O)N[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)[CH](O)C=CCCCCCCCCCCCCC | | InChi: | InChI=1S/C39H79N2O6P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-38(42)37(36-47-48(44,45)46-35-34-41(3,4)5)40-39(43)33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h30,32,37-38,42H,6-29,31,33-36H2,1-5H3,(H-,40,43,44,45)/b32-30+/t37-,38+/m0/s1 | | Synonyms: | N-Palmitoylsphingomyelin | | Definition date: | 2022-05-27 | | Last modified: | 2022-06-17 | | Release date: | 2022-06-22 | | Identifier: | [(~{E},2~{S},3~{R})-2-(hexadecanoylamino)-3-oxidanyl-octadec-4-enyl] 2-(trimethylazaniumyl)ethyl phosphate |
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 | | E3W | | Name: | 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid | | Formula: | C29 H25 N7 O6 S | | SMILES: | O=C(Nc1ccc(cc1)c1ccc(OCc2ccccc2)c(c1)C(=O)O)n1nc(Nc2ccc(cc2)S(N)(=O)=O)nc1N | | InChi: | InChI=1S/C29H25N7O6S/c30-27-34-28(32-21-11-13-23(14-12-21)43(31,40)41)35-36(27)29(39)33-22-9-6-19(7-10-22)20-8-15-25(24(16-20)26(37)38)42-17-18-4-2-1-3-5-18/h1-16H,17H2,(H,33,39)(H,37,38)(H2,31,40,41)(H3,30,32,34,35) | | Definition date: | 2021-12-01 | | Last modified: | 2022-06-10 | | Release date: | 2022-06-15 | | Identifier: | 4'-{[5-amino-3-(4-sulfamoylanilino)-1H-1,2,4-triazole-1-carbonyl]amino}-4-(benzyloxy)[1,1'-biphenyl]-3-carboxylic acid |
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 | | G7R | | Name: | 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine | | Formula: | C31 H36 N4 O6 | | SMILES: | COc1ccc(cc1OC)CCNc1nc2cc(OC)c(OC)cc2c(n1)N1Cc2cc(OC)c(cc2CC1)OC | | InChi: | InChI=1S/C31H36N4O6/c1-36-24-8-7-19(13-25(24)37-2)9-11-32-31-33-23-17-29(41-6)28(40-5)16-22(23)30(34-31)35-12-10-20-14-26(38-3)27(39-4)15-21(20)18-35/h7-8,13-17H,9-12,18H2,1-6H3,(H,32,33,34) | | Definition date: | 2021-12-17 | | Last modified: | 2022-06-10 | | Release date: | 2022-06-15 | | Identifier: | 4-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxyquinazolin-2-amine |
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 | | QY2 | | Name: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one | | Formula: | C14 H13 N3 O2 S | | SMILES: | CON=C1NC(=O)C(=[SH]1)Cc2ccc3ncccc3c2 | | InChi: | InChI=1S/C14H13N3O2S/c1-19-17-14-16-13(18)12(20-14)8-9-4-5-11-10(7-9)3-2-6-15-11/h2-7,20H,8H2,1H3,(H,16,17,18) | | Definition date: | 2020-08-20 | | Last modified: | 2022-06-03 | | Release date: | 2022-06-08 | | Identifier: | 2-methoxyimino-5-(quinolin-6-ylmethyl)-1,3-thiazol-4-one |
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 | | MJN | | Name: | N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide | | Formula: | C33 H35 N5 O4 | | SMILES: | O=C(Cc1ccc2NC(=O)C=C(C)c2c1)N1CCC(CC(NC(=O)c2ccc(cn2)c2ccccc2)C(=O)NC)CC1 | | InChi: | InChI=1S/C33H35N5O4/c1-21-16-30(39)36-27-10-8-23(17-26(21)27)19-31(40)38-14-12-22(13-15-38)18-29(32(41)34-2)37-33(42)28-11-9-25(20-35-28)24-6-4-3-5-7-24/h3-11,16-17,20,22,29H,12-15,18-19H2,1-2H3,(H,34,41)(H,36,39)(H,37,42)/t29-/m1/s1 | | Definition date: | 2022-03-16 | | Last modified: | 2022-06-03 | | Release date: | 2022-06-08 | | Identifier: | N-[(2R)-1-(methylamino)-3-{1-[(4-methyl-2-oxo-1,2-dihydroquinolin-6-yl)acetyl]piperidin-4-yl}-1-oxopropan-2-yl]-5-phenylpyridine-2-carboxamide |
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 | | 7U0 | | Name: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide | | Formula: | C39 H44 N8 O5 | | SMILES: | NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN3CCCC3)c4ccccc4n2)C(=O)Nc5cc(OCCN6CCCC6)c7ccccc7n5 | | InChi: | InChI=1S/C39H44N8O5/c40-13-20-50-27-23-32(38(48)44-36-25-34(28-9-1-3-11-30(28)42-36)51-21-18-46-14-5-6-15-46)41-33(24-27)39(49)45-37-26-35(29-10-2-4-12-31(29)43-37)52-22-19-47-16-7-8-17-47/h1-4,9-12,23-26H,5-8,13-22,40H2,(H,42,44,48)(H,43,45,49) | | Definition date: | 2022-03-01 | | Last modified: | 2022-06-03 | | Release date: | 2022-06-08 | | Identifier: | 4-(2-azanylethoxy)-~{N}2,~{N}6-bis[4-(2-pyrrolidin-1-ylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide |
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 | | 7V8 | | Name: | 4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide | | Formula: | C31 H32 N8 O5 | | SMILES: | NCCOc1cc(nc(c1)C(=O)Nc2cc(OCCN)c3ccccc3n2)C(=O)Nc4cc(OCCN)c5ccccc5n4 | | InChi: | InChI=1S/C31H32N8O5/c32-9-12-42-19-15-24(30(40)38-28-17-26(43-13-10-33)20-5-1-3-7-22(20)36-28)35-25(16-19)31(41)39-29-18-27(44-14-11-34)21-6-2-4-8-23(21)37-29/h1-8,15-18H,9-14,32-34H2,(H,36,38,40)(H,37,39,41) | | Synonyms: | Pyridostatin | | Definition date: | 2022-03-01 | | Last modified: | 2022-06-03 | | Release date: | 2022-06-08 | | Identifier: | 4-(2-azanylethoxy)-~{N}2,~{N}6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide |
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 | | 7VH | | Name: | 5-chloranyl-N-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine | | Formula: | C31 H37 Cl2 N7 O3 S | | SMILES: | CC[S](=O)(=O)n1cc(c2ccccc12)c3nc(Nc4cc(Cl)c(cc4OC)N5CCC(CC5)N6CCN(C)CC6)ncc3Cl | | InChi: | InChI=1S/C31H37Cl2N7O3S/c1-4-44(41,42)40-20-23(22-7-5-6-8-27(22)40)30-25(33)19-34-31(36-30)35-26-17-24(32)28(18-29(26)43-3)39-11-9-21(10-12-39)38-15-13-37(2)14-16-38/h5-8,17-21H,4,9-16H2,1-3H3,(H,34,35,36) | | Definition date: | 2021-10-27 | | Last modified: | 2022-06-03 | | Release date: | 2022-06-08 | | Identifier: | 5-chloranyl-~{N}-[5-chloranyl-2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-4-(1-ethylsulfonylindol-3-yl)pyrimidin-2-amine |
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 | | I0A | | Name: | 25-chloro-11-(ethylsulfonyl)-44-morpholino-11H-5,12-dioxa-3-aza-1(3,6)-indola-2(4,2)-pyrimidina-4(1,3)-benzenacyclododecaphane | | Formula: | C30 H34 Cl N5 O5 S | | SMILES: | CC[S](=O)(=O)n1cc2c3ccc(OCCCCCCOc4cc(Nc5ncc(Cl)c2n5)ccc4N6CCOCC6)cc13 | | InChi: | InChI=1S/C30H34ClN5O5S/c1-2-42(37,38)36-20-24-23-9-8-22(18-27(23)36)40-13-5-3-4-6-14-41-28-17-21(33-30-32-19-25(31)29(24)34-30)7-10-26(28)35-11-15-39-16-12-35/h7-10,17-20H,2-6,11-16H2,1H3,(H,32,33,34) | | Definition date: | 2022-05-27 | | Last modified: | 2022-06-03 | | Release date: | 2022-06-08 |
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 | | VFH | | Name: | 2-methyl-quinolin-4(1H)-one | | Formula: | C10 H9 N O | | SMILES: | CC1=CC(=O)c2ccccc2N1 | | InChi: | InChI=1S/C10H9NO/c1-7-6-10(12)8-4-2-3-5-9(8)11-7/h2-6H,1H3,(H,11,12) | | Definition date: | 2021-05-17 | | Last modified: | 2022-05-27 | | Release date: | 2022-06-01 | | Identifier: | 2-methyl-1~{H}-quinolin-4-one |
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 | | SDW | | Name: | 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine | | Formula: | C17 H14 I N3 | | SMILES: | Ic1ccc(Nc2nc(nc3ccccc23)C4CC4)cc1 | | InChi: | InChI=1S/C17H14IN3/c18-12-7-9-13(10-8-12)19-17-14-3-1-2-4-15(14)20-16(21-17)11-5-6-11/h1-4,7-11H,5-6H2,(H,19,20,21) | | Definition date: | 2020-11-13 | | Last modified: | 2022-05-27 | | Release date: | 2022-06-01 | | Identifier: | 2-cyclopropyl-~{N}-(4-iodophenyl)quinazolin-4-amine |
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 | | SEQ | | Name: | ~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine | | Formula: | C17 H21 N3 | | SMILES: | C1CCC(CC1)Nc2nc(nc3ccccc23)C4CC4 | | InChi: | InChI=1S/C17H21N3/c1-2-6-13(7-3-1)18-17-14-8-4-5-9-15(14)19-16(20-17)12-10-11-12/h4-5,8-9,12-13H,1-3,6-7,10-11H2,(H,18,19,20) | | Synonyms: | TH10785 | | Definition date: | 2020-11-13 | | Last modified: | 2022-05-27 | | Release date: | 2022-06-01 | | Identifier: | ~{N}-cyclohexyl-2-cyclopropyl-quinazolin-4-amine |
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 | | 0O0 | | Name: | 6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-3-(2-methylphenyl)quinazoline-2,4-dione | | Formula: | C23 H22 N4 O4 | | SMILES: | Cn1nc(C)c(c1O)C(=O)c2ccc3N(C)C(=O)N(C(=O)c3c2C)c4ccccc4C | | InChi: | InChI=1S/C23H22N4O4/c1-12-8-6-7-9-16(12)27-22(30)18-13(2)15(10-11-17(18)25(4)23(27)31)20(28)19-14(3)24-26(5)21(19)29/h6-11,29H,1-5H3 | | Definition date: | 2021-06-10 | | Last modified: | 2022-05-27 | | Release date: | 2022-06-01 | | Identifier: | 6-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,5-dimethyl-3-(2-methylphenyl)quinazoline-2,4-dione |
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 | | 9ZH | | Name: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-phenylpropyl)quinazoline-2,4-dione | | Formula: | C26 H26 N2 O5 | | SMILES: | CN1C(=O)N(CCCc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O | | InChi: | InChI=1S/C26H26N2O5/c1-16-18(24(31)23-20(29)11-6-12-21(23)30)13-14-19-22(16)25(32)28(26(33)27(19)2)15-7-10-17-8-4-3-5-9-17/h3-5,8-9,13-14,29H,6-7,10-12,15H2,1-2H3 | | Definition date: | 2022-03-14 | | Last modified: | 2022-05-27 | | Release date: | 2022-06-01 | | Identifier: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(3-phenylpropyl)quinazoline-2,4-dione |
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 | | 9ZO | | Name: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(4-phenylbutyl)quinazoline-2,4-dione | | Formula: | C27 H28 N2 O5 | | SMILES: | CN1C(=O)N(CCCCc2ccccc2)C(=O)c3c(C)c(ccc13)C(=O)C4=C(O)CCCC4=O | | InChi: | InChI=1S/C27H28N2O5/c1-17-19(25(32)24-21(30)12-8-13-22(24)31)14-15-20-23(17)26(33)29(27(34)28(20)2)16-7-6-11-18-9-4-3-5-10-18/h3-5,9-10,14-15,30H,6-8,11-13,16H2,1-2H3 | | Definition date: | 2022-03-14 | | Last modified: | 2022-05-27 | | Release date: | 2022-06-01 | | Identifier: | 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(4-phenylbutyl)quinazoline-2,4-dione |
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 | | 9ZU | | Name: | 5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-2-(trifluoromethyl)quinazolin-4-one | | Formula: | C23 H17 F3 N2 O4 | | SMILES: | Cc1c(ccc2N=C(N(C(=O)c12)c3ccccc3)C(F)(F)F)C(=O)C4=C(O)CCCC4=O | | InChi: | InChI=1S/C23H17F3N2O4/c1-12-14(20(31)19-16(29)8-5-9-17(19)30)10-11-15-18(12)21(32)28(13-6-3-2-4-7-13)22(27-15)23(24,25)26/h2-4,6-7,10-11,29H,5,8-9H2,1H3 | | Definition date: | 2022-03-14 | | Last modified: | 2022-05-27 | | Release date: | 2022-06-01 | | Identifier: | 5-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-2-(trifluoromethyl)quinazolin-4-one |
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 | | A0M | | Name: | ethyl 5-methyl-4-oxidanylidene-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2-carboxylate | | Formula: | C25 H22 N2 O6 | | SMILES: | CCOC(=O)C1=Nc2ccc(c(C)c2C(=O)N1c3ccccc3)C(=O)C4=C(O)CCCC4=O | | InChi: | InChI=1S/C25H22N2O6/c1-3-33-25(32)23-26-17-13-12-16(22(30)21-18(28)10-7-11-19(21)29)14(2)20(17)24(31)27(23)15-8-5-4-6-9-15/h4-6,8-9,12-13,28H,3,7,10-11H2,1-2H3 | | Definition date: | 2022-03-14 | | Last modified: | 2022-05-27 | | Release date: | 2022-06-01 | | Identifier: | ethyl 5-methyl-4-oxidanylidene-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazoline-2-carboxylate |
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 | | 9US | | Name: | 1,5-dimethyl-3-naphthalen-1-yl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione | | Formula: | C27 H22 N2 O5 | | SMILES: | CN1C(=O)N(C(=O)c2c(C)c(ccc12)C(=O)C3=C(O)CCCC3=O)c4cccc5ccccc45 | | InChi: | InChI=1S/C27H22N2O5/c1-15-17(25(32)24-21(30)11-6-12-22(24)31)13-14-20-23(15)26(33)29(27(34)28(20)2)19-10-5-8-16-7-3-4-9-18(16)19/h3-5,7-10,13-14,30H,6,11-12H2,1-2H3 | | Definition date: | 2022-03-14 | | Last modified: | 2022-05-27 | | Release date: | 2022-06-01 | | Identifier: | 1,5-dimethyl-3-naphthalen-1-yl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione |
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