| General Property |
| Molceule ID (DB) | EGIN0002457 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 9g compound |
| IUPAC Name | N-(4-{4-amino-1-[(1s,4s)-4-(4-methylpiperazin-1-yl)cyclohexyl]-1H-pyrazolo[3,4-d]pyrimidin-3-yl}phenyl)-7-chloro-5-methyl-1,3-benzoxazol-2-amine |
| Formula | C30H34ClN9O |
| Mass | 572.104 |
| Exact Mass | 571.2574845 |
| Composition | C (62.98%), H (5.99%), Cl (6.2%), N (22.03%), O (2.8%) |
| Atom Count | 75 |
| PI | 9.78 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CC[C@@H](CC1)N1CCN(CC1)C)c1ccc(cc1)Nc1oc2c(n1)cc(cc2Cl)C)N |
| InChI | 1S/C30H34ClN9O/c1-18-15-23(31)27-24(16-18)36-30(41-27)35-20-5-3-19(4-6-20)26-25-28(32)33-17-34-29(25
)40(37-26)22-9-7-21(8-10-22)39-13-11-38(2)12-14-39/h3-6,15-17,21-22H,7-14H2,1-2H3,(H,35,36)(H2,32,33
,34)/t21-,22+ |
| InChIKey | NRBXSFVELYFYJD-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 | 26365095 |
| ChEMBL Link | CHEMBL1256423 |
