| General Property |
| Molceule ID (DB) | EGIN0000808 |
| Inhibitor Class | Quinazoline |
| Molecule Name in Refrence Article | CP-654577 |
| IUPAC Name | [(1R,5S,6S)-3-[(4-{4-[(3-methoxy-4-phenoxyphenyl)amino]quinazolin-6-yl}phenyl)methyl]-3-azabicyclo[3.1.0]hexan-6-yl]methanol |
| Formula | C34H32N4O3 |
| Mass | 544.6429 |
| Exact Mass | 544.2474409 |
| Composition | C (74.98%), H (5.92%), N (10.29%), O (8.81%) |
| Atom Count | 73 |
| PI | 12.2 |
| Smiles | c12c(ccc(c1)c1ccc(cc1)CN1C[C@@H]3[C@H](C1)[C@H]3CO)ncnc2Nc1cc(c(cc1)Oc1ccccc1)OC |
| InChI | 1S/C34H32N4O3/c1-40-33-16-25(12-14-32(33)41-26-5-3-2-4-6-26)37-34-27-15-24(11-13-31(27)35-21-36-34)2
3-9-7-22(8-10-23)17-38-18-28-29(19-38)30(28)20-39/h2-16,21,28-30,39H,17-20H2,1H3,(H,35,36,37)/t28-,2
9+,30+ |
| InChIKey | WZZXMNBOPNKKSX-BKHFGAQXSA-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 | 12907618 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | IGFR | IR | PDGFR | c-Src | ALL |
| Pub Chem Link |
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| Drug Bank Link | - |
| ChemSpider Link | 11452398 24691519 |
| ChEMBL Link | CHEMBL458098 |
