| General Property |
| Molceule ID (DB) | EGIN0002455 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 9e compound |
| IUPAC Name | N-(4-{4-amino-1-[(1s,4s)-4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}-2-fluorophenyl)-7-chloro-1,3-benzoxazol-2-amine |
| Formula | C29H31ClFN9O |
| Mass | 576.068 |
| Exact Mass | 575.2324126 |
| Composition | C (60.46%), H (5.42%), Cl (6.15%), F (3.3%), N (21.88%), O (2.78%) |
| Atom Count | 72 |
| PI | 8.56 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CC[C@@H](CC1)N1CCN(CC1)C)c1ccc(c(c1)F)Nc1oc2c(n1)cccc2Cl)N |
| InChI | 1S/C29H31ClFN9O/c1-38-11-13-39(14-12-38)18-6-8-19(9-7-18)40-28-24(27(32)33-16-34-28)25(37-40)17-5-10
-22(21(31)15-17)35-29-36-23-4-2-3-20(30)26(23)41-29/h2-5,10,15-16,18-19H,6-9,11-14H2,1H3,(H,35,36)(H
2,32,33,34)/t18-,19+ |
| InChIKey | SKBWQUPLWQUWPH-KDURUIRLSA-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 | 26365262 |
| ChEMBL Link | CHEMBL1256421 |
