| General Property |
| Molceule ID (DB) | EGIN0002452 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 9b compound |
| IUPAC Name | 2-[(4-{4-amino-1-[(1s,4s)-4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)amino]-1,3-benzoxazole-7-carbonitrile |
| Formula | C30H32N10O |
| Mass | 548.6415 |
| Exact Mass | 548.2760557 |
| Composition | C (65.68%), H (5.88%), N (25.53%), O (2.92%) |
| Atom Count | 73 |
| PI | 9.62 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CC[C@@H](CC1)N1CCN(CC1)C)c1ccc(cc1)Nc1oc2c(n1)cccc2C#N)N |
| InChI | 1S/C30H32N10O/c1-38-13-15-39(16-14-38)22-9-11-23(12-10-22)40-29-25(28(32)33-18-34-29)26(37-40)19-5-7
-21(8-6-19)35-30-36-24-4-2-3-20(17-31)27(24)41-30/h2-8,18,22-23H,9-16H2,1H3,(H,35,36)(H2,32,33,34)/t
22-,23+ |
| InChIKey | UVJLTOZEQNKBGM-ZRZAMGCNSA-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 26366749 |
| ChEMBL Link | CHEMBL1256419 |
