| General Property |
| Molceule ID (DB) | EGIN0004681 |
| Inhibitor Class | Anilino-pyrimidine |
| Molecule Name in Refrence Article | 27 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-5-[(1E)-3-{4-[(cyclopropylamino)methyl]phenyl}prop-1-en-1-yl]-6-methylpyrimidin-4-amine |
| Formula | C31H30ClFN4O |
| Mass | 529.048 |
| Exact Mass | 528.2092175 |
| Composition | C (70.38%), H (5.72%), Cl (6.7%), F (3.59%), N (10.59%), O (3.02%) |
| Atom Count | 68 |
| PI | 12.78 |
| Smiles | c1cc(cc(c1OCc1cccc(c1)F)Cl)Nc1c(c(ncn1)C)/C=C/Cc1ccc(cc1)CNC1CC1 |
| InChI | 1S/C31H30ClFN4O/c1-21-28(7-3-4-22-8-10-23(11-9-22)18-34-26-12-13-26)31(36-20-35-21)37-27-14-15-30(29
(32)17-27)38-19-24-5-2-6-25(33)16-24/h2-3,5-11,14-17,20,26,34H,4,12-13,18-19H2,1H3,(H,35,36,37)/b7-3
+ |
| InChIKey | ITUPYOORFORNHQ-XVNBXDOJSA-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 | 22101132 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
