| General Property |
| Molceule ID (DB) | EGIN0004536 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 3a |
| IUPAC Name | ol |
| Formula | C24H27ClN5O2 |
| Mass | 452.956 |
| Exact Mass | 452.1853278 |
| Composition | C (63.64%), H (6.01%), Cl (7.83%), N (15.46%), O (7.06%) |
| Atom Count | 59 |
| PI | 8.89 |
| Smiles | c1c(ccc2c1c(ncn2)Nc1cc(ccc1)Cl)NC(=O)C1CC(N(C(C1)(C)C)[O])(C)C |
| InChI | 1S/C24H27ClN5O2/c1-23(2)12-15(13-24(3,4)30(23)32)22(31)29-18-8-9-20-19(11-18)21(27-14-26-20)28-17-7-
5-6-16(25)10-17/h5-11,14-15H,12-13H2,1-4H3,(H,29,31)(H,26,27,28) |
| InChIKey | HLTYCCLCGLFCRN-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 | 22309911 |
| 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 |
57381322
|
| Drug Bank Link | - |
| ChemSpider Link | 28431373 |
| ChEMBL Link | CHEMBL1947125 |
