General Property |
Molceule ID (DB) | EGIN0004011 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5i compound |
IUPAC Name | 2-(3-chloropropyl)-6,7-diethoxy-N-[3-(2-methyl-1,3-thiazol-4-yl)phenyl]quinazolin-4-amine |
Formula | C25H27ClN4O2S |
Mass | 483.025 |
Exact Mass | 482.1543245 |
Composition | C (62.16%), H (5.63%), Cl (7.34%), N (11.6%), O (6.62%), S (6.64%) |
Atom Count | 60 |
PI | 10.72 |
Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CCCCl)Nc1cc(c2csc(n2)C)ccc1 |
InChI | 1S/C25H27ClN4O2S/c1-4-31-22-13-19-20(14-23(22)32-5-2)29-24(10-7-11-26)30-25(19)28-18-9-6-8-17(12-18)
21-15-33-16(3)27-21/h6,8-9,12-15H,4-5,7,10-11H2,1-3H3,(H,28,29,30) |
InChIKey | AYOJFONFAZWCIP-UHFFFAOYSA-N |
2D Structure | | Structure Backbone | |
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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 | 12190310 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | F16BP | |
Pub Chem Link |
10152087
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Drug Bank Link | - |
ChemSpider Link | 8327595 |
ChEMBL Link | CHEMBL434253 |