| General Property |
| Molceule ID (DB) | EGIN0001868 |
| Inhibitor Class | Anilino-quinazoline |
| Molecule Name in Refrence Article | 8 compound |
| IUPAC Name | N-{4-[(3-fluorophenyl)methoxy]-3-methoxyphenyl}-6-(5-{[(2-methanesulfonylethyl)amino]methyl}furan-2-yl)quinazolin-4-amine |
| Formula | C30H29FN4O5S |
| Mass | 576.638 |
| Exact Mass | 576.184269 |
| Composition | C (62.49%), H (5.07%), F (3.29%), N (9.72%), O (13.87%), S (5.56%) |
| Atom Count | 70 |
| PI | 11.58 |
| Smiles | C(NCCS(=O)(=O)C)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)OC)o1 |
| InChI | 1S/C30H29FN4O5S/c1-38-29-16-23(7-10-28(29)39-18-20-4-3-5-22(31)14-20)35-30-25-15-21(6-9-26(25)33-19-
34-30)27-11-8-24(40-27)17-32-12-13-41(2,36)37/h3-11,14-16,19,32H,12-13,17-18H2,1-2H3,(H,33,34,35) |
| InChIKey | CJGPKVRBUPRPTR-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 |
9851149
|
| Drug Bank Link | - |
| ChemSpider Link | 8026862 |
| ChEMBL Link | CHEMBL215033 |
