| General Property |
| Molceule ID (DB) | EGIN0002451 |
| Inhibitor Class | Pyrazolo-pyrimidine |
| Molecule Name in Refrence Article | 9a 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)-1,3-benzoxazol-2-amine |
| Formula | C29H33N9O |
| Mass | 523.632 |
| Exact Mass | 523.2808067 |
| Composition | C (66.52%), H (6.35%), N (24.07%), O (3.06%) |
| Atom Count | 72 |
| PI | 9.7 |
| Smiles | c1(ncnc2c1c(nn2[C@@H]1CC[C@@H](CC1)N1CCN(CC1)C)c1ccc(cc1)Nc1oc2c(n1)cccc2)N |
| InChI | 1S/C29H33N9O/c1-36-14-16-37(17-15-36)21-10-12-22(13-11-21)38-28-25(27(30)31-18-32-28)26(35-38)19-6-8
-20(9-7-19)33-29-34-23-4-2-3-5-24(23)39-29/h2-9,18,21-22H,10-17H2,1H3,(H,33,34)(H2,30,31,32)/t21-,22
+ |
| InChIKey | PSLLUEPNSLSABN-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 |
-
|
| Drug Bank Link | - |
| ChemSpider Link | 19656121 |
| ChEMBL Link | CHEMBL1257769 |
