| General Property |
| Molceule ID (DB) | EGIN0004154 |
| Inhibitor Class | Quinoline |
| Molecule Name in Refrence Article | 51 compound |
| IUPAC Name | 5-[3-fluoro-4-({6-methoxy-7-[3-(morpholin-4-yl)propoxy]quinolin-4-yl}oxy)phenyl]-2-[(4-fluorophenyl)amino]-3-methyl-3,4-dihydropyrimidin-4-one |
| Formula | C34H33F2N5O5 |
| Mass | 629.6531 |
| Exact Mass | 629.2449756 |
| Composition | C (64.86%), H (5.28%), F (6.03%), N (11.12%), O (12.7%) |
| Atom Count | 79 |
| PI | No isoelectric point. |
| Smiles | c1(c(cc2c(c1)c(ccn2)Oc1c(cc(cc1)c1c(=O)n(c(nc1)Nc1ccc(cc1)F)C)F)OCCCN1CCOCC1)OC |
| InChI | 1S/C34H33F2N5O5/c1-40-33(42)26(21-38-34(40)39-24-7-5-23(35)6-8-24)22-4-9-30(27(36)18-22)46-29-10-11-
37-28-20-32(31(43-2)19-25(28)29)45-15-3-12-41-13-16-44-17-14-41/h4-11,18-21H,3,12-17H2,1-2H3,(H,38,3
9) |
| InChIKey | ONSZEUCTVQJHOZ-UHFFFAOYSA-N |
| 2D Structure |  | Structure Backbone |  |
|
| 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 | PKA alpha | PKB alpha | Tie2 | ZAP70 | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 10032580 |
| ChEMBL Link | CHEMBL453737 |
