| General Property |
| Molceule ID (DB) | EGIN0004511 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 42b |
| IUPAC Name | 5-(2-chloro-4-{[5-(2-hydroxyethyl)-5H-pyrrolo[3,2-d]pyrimidin-4-yl]amino}phenoxy)-2,3-dihydro-1H-isoindol-1-one |
| Formula | C22H18ClN5O3 |
| Mass | 435.863 |
| Exact Mass | 435.1098172 |
| Composition | C (60.62%), H (4.16%), Cl (8.13%), N (16.07%), O (11.01%) |
| Atom Count | 49 |
| PI | 9.07 |
| Smiles | c1(c2n(ccc2ncn1)CCO)Nc1ccc(c(c1)Cl)Oc1cc2CNC(=O)c2cc1 |
| InChI | 1S/C22H18ClN5O3/c23-17-10-14(27-21-20-18(25-12-26-21)5-6-28(20)7-8-29)1-4-19(17)31-15-2-3-16-13(9-15
)11-24-22(16)30/h1-6,9-10,12,29H,7-8,11H2,(H,24,30)(H,25,26,27) |
| InChIKey | PDHPVHXAEDIWBQ-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 |
57415415
|
| Drug Bank Link | - |
| ChemSpider Link | 28511266 |
| ChEMBL Link | - |
