| General Property |
| Molceule ID (DB) | EGIN0002465 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | N,N-dimethyl-2-{4-[(1r,4r)-4-(4-amino-3-{4-[(7-chloro-1,3-benzoxazol-2-yl)amino]phenyl}-1H-pyrazolo[3,4-d]pyrimidin-1-yl)cyclohexyl]piperazin-1-yl}acetamide |
| Formula | C32H37ClN10O2 |
| Mass | 629.155 |
| Exact Mass | 628.2789482 |
| Composition | C (61.09%), H (5.93%), Cl (5.64%), N (22.26%), O (5.09%) |
| Atom Count | 82 |
| PI | 9.44 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CC[C@H](CC1)N1CCN(CC1)CC(=O)N(C)C)c1ccc(cc1)Nc1oc2c(n1)cccc2Cl)N |
| InChI | 1S/C32H37ClN10O2/c1-40(2)26(44)18-41-14-16-42(17-15-41)22-10-12-23(13-11-22)43-31-27(30(34)35-19-36-
31)28(39-43)20-6-8-21(9-7-20)37-32-38-25-5-3-4-24(33)29(25)45-32/h3-9,19,22-23H,10-18H2,1-2H3,(H,37,
38)(H2,34,35,36)/t22-,23- |
| InChIKey | PSLCBMWJMHKRLT-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 | 26367311 |
| ChEMBL Link | CHEMBL1256429 |
