| General Property |
| Molceule ID (DB) | EGIN0002460 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | N-(4-{4-amino-1-[(1r,4r)-4-(morpholin-4-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-7-chloro-1,3-benzoxazol-2-amine |
| Formula | C28H29ClN8O2 |
| Mass | 545.035 |
| Exact Mass | 544.2101999 |
| Composition | C (61.7%), H (5.36%), Cl (6.5%), N (20.56%), O (5.87%) |
| Atom Count | 68 |
| PI | 9.18 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CC[C@H](CC1)N1CCOCC1)c1ccc(cc1)Nc1oc2c(n1)cccc2Cl)N |
| InChI | 1S/C28H29ClN8O2/c29-21-2-1-3-22-25(21)39-28(34-22)33-18-6-4-17(5-7-18)24-23-26(30)31-16-32-27(23)37(
35-24)20-10-8-19(9-11-20)36-12-14-38-15-13-36/h1-7,16,19-20H,8-15H2,(H,33,34)(H2,30,31,32)/t19-,20- |
| InChIKey | HAJVSTFCLZBFNA-MXVIHJGJSA-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 | 26366319 |
| ChEMBL Link | CHEMBL1258118 |
