| General Property |
| Molceule ID (DB) | EGIN0001887 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 17 compound |
| IUPAC Name | N-[4-(benzyloxy)phenyl]-6-[4-({[2-(methyldimethylidene-$l^{6}-sulfanyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine |
| Formula | C31H32N4O2S |
| Mass | 524.676 |
| Exact Mass | 524.224597 |
| Composition | C (70.96%), H (6.15%), N (10.68%), O (6.1%), S (6.11%) |
| Atom Count | 70 |
| PI | 12.59 |
| Smiles | c12cc(ccc1ncnc2Nc1ccc(cc1)OCc1ccccc1)c1cc(co1)CNCCS(=C)(=C)C |
| InChI | 1S/C31H32N4O2S/c1-38(2,3)16-15-32-19-24-17-30(37-21-24)25-9-14-29-28(18-25)31(34-22-33-29)35-26-10-1
2-27(13-11-26)36-20-23-7-5-4-6-8-23/h4-14,17-18,21-22,32H,1-2,15-16,19-20H2,3H3,(H,33,34,35) |
| InChIKey | VQTFRVKDHVTYFB-UHFFFAOYSA-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 | 16777410 |
| Compounds from Reference | Other compounds from reference |
| Find Similar Compounds | |
| Reported activity against other enzymes | No activity data against other kinases present in database |
| Pub Chem Link |
-
|
| Drug Bank Link | - |
| ChemSpider Link | - |
| ChEMBL Link | - |
