| General Property |
| Molceule ID (DB) | EGIN0002318 |
| Inhibitor Class | Thiazolo-pyrimidine |
| Molecule Name in Refrence Article | 6v compound |
| IUPAC Name | 7-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-2-N-{4-[(4-methylpiperazin-1-yl)methyl]phenyl}-[1,3]thiazolo[4,5-d]pyrimidine-2,7-diamine |
| Formula | C30H29ClFN7OS |
| Mass | 590.114 |
| Exact Mass | 589.1826852 |
| Composition | C (61.06%), H (4.95%), Cl (6.01%), F (3.22%), N (16.61%), O (2.71%), S (5.43%) |
| Atom Count | 70 |
| PI | 10.38 |
| Smiles | n1c(sc2c1ncnc2Nc1cc(c(cc1)OCc1cc(ccc1)F)Cl)Nc1ccc(cc1)CN1CCN(CC1)C |
| InChI | 1S/C30H29ClFN7OS/c1-38-11-13-39(14-12-38)17-20-5-7-23(8-6-20)36-30-37-29-27(41-30)28(33-19-34-29)35-
24-9-10-26(25(31)16-24)40-18-21-3-2-4-22(32)15-21/h2-10,15-16,19H,11-14,17-18H2,1H3,(H2,33,34,35,36,
37) |
| InChIKey | ANGBZYNNANAOBU-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 | 19286381 |
| 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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 13088518 |
| ChEMBL Link | CHEMBL503418 |
