| General Property |
| Molceule ID (DB) | EGIN0002453 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 9c compound |
| IUPAC Name | methyl 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-carboxylate |
| Formula | C31H35N9O3 |
| Mass | 581.6681 |
| Exact Mass | 581.286286 |
| Composition | C (64.01%), H (6.06%), N (21.67%), O (8.25%) |
| Atom Count | 78 |
| PI | 9.38 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CC[C@@H](CC1)N1CCN(CC1)C)c1ccc(cc1)Nc1oc2c(n1)cccc2C(=O)OC)N |
| InChI | 1S/C31H35N9O3/c1-38-14-16-39(17-15-38)21-10-12-22(13-11-21)40-29-25(28(32)33-18-34-29)26(37-40)19-6-
8-20(9-7-19)35-31-36-24-5-3-4-23(27(24)43-31)30(41)42-2/h3-9,18,21-22H,10-17H2,1-2H3,(H,35,36)(H2,32
,33,34)/t21-,22+ |
| InChIKey | UEEHYZFGGLKQIU-SZPZYZBQSA-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 | 26367212 |
| ChEMBL Link | CHEMBL1256420 |
