| General Property |
| Molceule ID (DB) | EGIN0002467 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 22 compound |
| IUPAC Name | N-[4-(4-amino-1-{1-[1-(propan-2-yl)piperidin-4-yl]piperidin-4-yl}-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 | 10.12 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CCN(CC1)C1CCN(CC1)C(C)C)c1ccc(cc1)Nc1oc2c(n1)cccc2Cl)N |
| InChI | 1S/C31H36ClN9O/c1-19(2)39-14-10-22(11-15-39)40-16-12-23(13-17-40)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) |
| InChIKey | HKJUUPKKOAGVDB-UHFFFAOYSA-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 |
52950017
|
| Drug Bank Link | - |
| ChemSpider Link | 26366458 |
| ChEMBL Link | CHEMBL1256430 |
