| General Property |
| Molceule ID (DB) | EGIN0002454 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 9d 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)-7-chloro-1,3-benzoxazol-2-amine |
| Formula | C29H32ClN9O |
| Mass | 558.077 |
| Exact Mass | 557.2418344 |
| Composition | C (62.41%), H (5.78%), Cl (6.35%), N (22.59%), O (2.87%) |
| Atom Count | 72 |
| PI | 9.75 |
| Smiles | c1(ncnc2c1c(nn2[C@H]1CC[C@H](CC1)N1CCN(CC1)C)c1ccc(cc1)Nc1oc2c(n1)cccc2Cl)N |
| InChI | 1S/C29H32ClN9O/c1-37-13-15-38(16-14-37)20-9-11-21(12-10-20)39-28-24(27(31)32-17-33-28)25(36-39)18-5-
7-19(8-6-18)34-29-35-23-4-2-3-22(30)26(23)40-29/h2-8,17,20-21H,9-16H2,1H3,(H,34,35)(H2,31,32,33)/t20
-,21+ |
| InChIKey | DLQXAWIVHRHOQT-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 | 19656146 |
| ChEMBL Link | CHEMBL1257998 |
