| General Property |
| Molceule ID (DB) | EGIN0004153 |
| Inhibitor Class | Quinoline |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | 2-benzyl-5-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-3-methyl-3,4-dihydropyrimidin-4-one |
| Formula | C35H35FN4O5 |
| Mass | 610.6746 |
| Exact Mass | 610.2591485 |
| Composition | C (68.84%), H (5.78%), F (3.11%), N (9.17%), O (13.1%) |
| Atom Count | 80 |
| PI | No isoelectric point. |
| Smiles | N1(CCOCC1)CCCOc1cc2c(cc1OC)c(ccn2)Oc1ccc(cc1F)c1c(=O)n(c(nc1)Cc1ccccc1)C |
| InChI | 1S/C35H35FN4O5/c1-39-34(19-24-7-4-3-5-8-24)38-23-27(35(39)41)25-9-10-31(28(36)20-25)45-30-11-12-37-2
9-22-33(32(42-2)21-26(29)30)44-16-6-13-40-14-17-43-18-15-40/h3-5,7-12,20-23H,6,13-19H2,1-2H3 |
| InChIKey | PEGWVOKOYYAQEV-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
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| View Structure in Jmol | Click to view 3 d structure Download Mol File |
| Drug Like Property | Druglikeliness |
| Symmetry & Geometry | Symmetry And Geometrical Information |
| Activity & Binding | Activity against isoform and covalant binding information |
| Topological Properties | Descriptors |
| Reference | 18763753 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | Aurora2 | BTK | CDK5 | cFMS | ERK1 | FgfRK | FgfRK2 | Flt1 | Flt4 | JAK2 | JAK3 | JNK2 | LCK | MSK1 | P38 | P70S6 | PIM1 | PIM2 | PKA alpha | PKB alpha | Tie2 | ZAP70 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 9824933 |
| ChEMBL Link | CHEMBL505896 |
