| General Property |
| Molceule ID (DB) | EGIN0002458 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 9h compound |
| IUPAC Name | N-(4-{4-amino-1-[(1s,4s)-4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-5,7-dichloro-1,3-benzoxazol-2-amine |
| Formula | C29H31Cl2N9O |
| Mass | 592.522 |
| Exact Mass | 591.2028621 |
| Composition | C (58.78%), H (5.27%), Cl (11.97%), N (21.28%), O (2.7%) |
| Atom Count | 72 |
| PI | 9.75 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CC[C@@H](CC1)N1CCN(CC1)C)c1ccc(cc1)Nc1oc2c(n1)cc(cc2Cl)Cl)N |
| InChI | 1S/C29H31Cl2N9O/c1-38-10-12-39(13-11-38)20-6-8-21(9-7-20)40-28-24(27(32)33-16-34-28)25(37-40)17-2-4-
19(5-3-17)35-29-36-23-15-18(30)14-22(31)26(23)41-29/h2-5,14-16,20-21H,6-13H2,1H3,(H,35,36)(H2,32,33,
34)/t20-,21+ |
| InChIKey | OKYKKFLCZPGQHI-OYRHEFFESA-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 | 20817523 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | IGF1R | |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 19656131 |
| ChEMBL Link | CHEMBL1256424 |
