| General Property |
| Molceule ID (DB) | EGIN0004502 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 42l |
| IUPAC Name | N-{3-chloro-4-[(1-methyl-1H-indazol-4-yl)oxy]phenyl}-5-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-amine |
| Formula | C23H21ClN6O |
| Mass | 432.905 |
| Exact Mass | 432.146537 |
| Composition | C (63.81%), H (4.89%), Cl (8.19%), N (19.41%), O (3.7%) |
| Atom Count | 52 |
| PI | 10.88 |
| Smiles | c1(c2n(ccc2ncn1)CCC)Nc1ccc(c(c1)Cl)Oc1c2cnn(c2ccc1)C |
| InChI | 1S/C23H21ClN6O/c1-3-10-30-11-9-18-22(30)23(26-14-25-18)28-15-7-8-21(17(24)12-15)31-20-6-4-5-19-16(20
)13-27-29(19)2/h4-9,11-14H,3,10H2,1-2H3,(H,25,26,28) |
| InChIKey | MBHVJRGLWQPZGI-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 | 22439974 |
| 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 | - |
| ChEMBL Link | - |
