| General Property |
| Molceule ID (DB) | EGIN0001871 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 11 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-[5-({[2-(propane-1-sulfonyl)ethyl]amino}methyl)furan-2-yl]quinazolin-4-amine |
| Formula | C31H30ClFN4O4S |
| Mass | 609.111 |
| Exact Mass | 608.1660321 |
| Composition | C (61.13%), H (4.96%), Cl (5.82%), F (3.12%), N (9.2%), O (10.51%), S (5.26%) |
| Atom Count | 72 |
| PI | 11.58 |
| Smiles | C(NCCS(=O)(=O)CCC)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)o1 |
| InChI | 1S/C31H30ClFN4O4S/c1-2-13-42(38,39)14-12-34-18-25-8-11-29(41-25)22-6-9-28-26(16-22)31(36-20-35-28)37
-24-7-10-30(27(32)17-24)40-19-21-4-3-5-23(33)15-21/h3-11,15-17,20,34H,2,12-14,18-19H2,1H3,(H,35,36,3
7) |
| InChIKey | ZZOFSNIYKIWAIB-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 |
9960493
|
| Drug Bank Link | - |
| ChemSpider Link | 8136100 |
| ChEMBL Link | CHEMBL383965 |
