General Property |
Molceule ID (DB) | EGIN0001877 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 20 compound |
IUPAC Name | 6-(5-{[2-(benzenesulfonyl)ethoxy]methyl}furan-2-yl)-N-{3-chloro-4-[(3-fluorophenyl)methoxy]phenyl}quinazolin-4-amine |
Formula | C34H27ClFN3O5S |
Mass | 644.112 |
Exact Mass | 643.1343976 |
Composition | C (63.4%), H (4.23%), Cl (5.5%), F (2.95%), N (6.52%), O (12.42%), S (4.98%) |
Atom Count | 72 |
PI | 9.89 |
Smiles | C(OCCS(=O)(=O)c1ccccc1)c1ccc(c2ccc3c(c2)c(ncn3)Nc2cc(c(cc2)OCc2cc(ccc2)F)Cl)o1 |
InChI | 1S/C34H27ClFN3O5S/c35-30-19-26(10-13-33(30)43-20-23-5-4-6-25(36)17-23)39-34-29-18-24(9-12-31(29)37-2
2-38-34)32-14-11-27(44-32)21-42-15-16-45(40,41)28-7-2-1-3-8-28/h1-14,17-19,22H,15-16,20-21H2,(H,37,3
8,39) |
InChIKey | JLBVWHHVKVXOOR-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0001877.png) | Structure Backbone | ![](./frame/f_EGIN0001877.png) |
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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 |
9917474
|
Drug Bank Link | - |
ChemSpider Link | 8093121 |
ChEMBL Link | CHEMBL212250 |