| General Property |
| Molceule ID (DB) | EGIN0002461 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 13 compound |
| IUPAC Name | N-(4-{4-amino-1-[(1r,4r)-4-[4-(propan-2-yl)piperazin-1-yl]cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-7-chloro-1,3-benzoxazol-2-amine |
| Formula | C31H36ClN9O |
| Mass | 586.13 |
| Exact Mass | 585.2731345 |
| Composition | C (63.52%), H (6.19%), Cl (6.05%), N (21.51%), O (2.73%) |
| Atom Count | 78 |
| PI | 9.74 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CC[C@H](CC1)N1CCN(CC1)C(C)C)c1ccc(cc1)Nc1oc2c(n1)cccc2Cl)N |
| InChI | 1S/C31H36ClN9O/c1-19(2)39-14-16-40(17-15-39)22-10-12-23(13-11-22)41-30-26(29(33)34-18-35-30)27(38-41
)20-6-8-21(9-7-20)36-31-37-25-5-3-4-24(32)28(25)42-31/h3-9,18-19,22-23H,10-17H2,1-2H3,(H,36,37)(H2,3
3,34,35)/t22-,23- |
| InChIKey | PAFOOYBINUNMGT-YHBQERECSA-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 | 26366355 |
| ChEMBL Link | CHEMBL1256425 |
