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 | ![](./image/EGIN0001871.png) | Structure Backbone | ![](./frame/f_EGIN0001871.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 |
9960493
|
Drug Bank Link | - |
ChemSpider Link | 8136100 |
ChEMBL Link | CHEMBL383965 |