| General Property |
| Molceule ID (DB) | EGIN0002456 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 9f compound |
| IUPAC Name | N-(4-{4-amino-1-[(1s,4s)-4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenyl)-5-chloro-1,3-benzoxazol-2-amine |
| Formula | C29H31ClFN9O |
| Mass | 576.068 |
| Exact Mass | 575.2324126 |
| Composition | C (60.46%), H (5.42%), Cl (6.15%), F (3.3%), N (21.88%), O (2.78%) |
| Atom Count | 72 |
| PI | 8.52 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CC[C@@H](CC1)N1CCN(CC1)C)c1ccc(c(c1)F)Nc1oc2c(n1)cc(cc2)Cl)N |
| InChI | 1S/C29H31ClFN9O/c1-38-10-12-39(13-11-38)19-4-6-20(7-5-19)40-28-25(27(32)33-16-34-28)26(37-40)17-2-8-
22(21(31)14-17)35-29-36-23-15-18(30)3-9-24(23)41-29/h2-3,8-9,14-16,19-20H,4-7,10-13H2,1H3,(H,35,36)(
H2,32,33,34)/t19-,20+ |
| InChIKey | WZPLIONUJTZOSO-BGYRXZFFSA-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 |
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| Drug Bank Link | - |
| ChemSpider Link | 26365077 |
| ChEMBL Link | CHEMBL1256422 |
