| General Property |
| Molceule ID (DB) | EGIN0001872 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 12 compound |
| IUPAC Name | N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}-6-[5-({[2-(propane-2-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)C(C)C)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)o1 |
| InChI | 1S/C31H30ClFN4O4S/c1-20(2)42(38,39)13-12-34-17-25-8-11-29(41-25)22-6-9-28-26(15-22)31(36-19-35-28)37
-24-7-10-30(27(32)16-24)40-18-21-4-3-5-23(33)14-21/h3-11,14-16,19-20,34H,12-13,17-18H2,1-2H3,(H,35,3
6,37) |
| InChIKey | IRPQLCLTIKGBTQ-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 |
9873657
|
| Drug Bank Link | - |
| ChemSpider Link | 8049346 |
| ChEMBL Link | CHEMBL214487 |
