| General Property |
| Molceule ID (DB) | EGIN0004507 |
| Inhibitor Class | Pyrrolo-pyrimidine |
| Molecule Name in Refrence Article | 42f |
| IUPAC Name | 7-[2-chloro-4-({5-propyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl}amino)phenoxy]-2,3-dihydro-1H-isoindol-1-one |
| Formula | C23H20ClN5O2 |
| Mass | 433.89 |
| Exact Mass | 433.1305526 |
| Composition | C (63.67%), H (4.65%), Cl (8.17%), N (16.14%), O (7.37%) |
| Atom Count | 51 |
| PI | 9.47 |
| Smiles | c1(c2n(ccc2ncn1)CCC)Nc1ccc(c(c1)Cl)Oc1c2C(=O)NCc2ccc1 |
| InChI | 1S/C23H20ClN5O2/c1-2-9-29-10-8-17-21(29)22(27-13-26-17)28-15-6-7-18(16(24)11-15)31-19-5-3-4-14-12-25
-23(30)20(14)19/h3-8,10-11,13H,2,9,12H2,1H3,(H,25,30)(H,26,27,28) |
| InChIKey | QGWPDYZDWPRJTO-UHFFFAOYSA-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 | 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 |
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| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
