| General Property |
| Molceule ID (DB) | EGIN0002449 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 1 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)-5,7-dimethyl-1,3-benzoxazol-2-amine |
| Formula | C31H36FN9O |
| Mass | 569.6756 |
| Exact Mass | 569.302685 |
| Composition | C (65.36%), H (6.37%), F (3.33%), N (22.13%), O (2.81%) |
| Atom Count | 78 |
| PI | 8.78 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CC[C@@H](CC1)N1CCN(CC1)C)c1ccc(c(c1)F)Nc1oc2c(n1)cc(cc2C)C)N |
| InChI | 1S/C31H36FN9O/c1-18-14-19(2)28-25(15-18)37-31(42-28)36-24-9-4-20(16-23(24)32)27-26-29(33)34-17-35-30
(26)41(38-27)22-7-5-21(6-8-22)40-12-10-39(3)11-13-40/h4,9,14-17,21-22H,5-8,10-13H2,1-3H3,(H,36,37)(H
2,33,34,35)/t21-,22+ |
| InChIKey | BCCBBFDXEPUOFF-SZPZYZBQSA-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 | 19656115 |
| ChEMBL Link | CHEMBL1256417 |
