General Property |
Molceule ID (DB) | EGIN0004017 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 5r compound |
IUPAC Name | 2-(6,7-diethoxy-4-{[3-(2-methyl-1,3-thiazol-4-yl)phenyl]amino}quinazolin-2-yl)acetic acid |
Formula | C24H24N4O4S |
Mass | 464.537 |
Exact Mass | 464.151826 |
Composition | C (62.05%), H (5.21%), N (12.06%), O (13.78%), S (6.9%) |
Atom Count | 57 |
PI | 3.92 |
Smiles | c12c(nc(nc1cc(c(c2)OCC)OCC)CC(=O)O)Nc1cc(c2csc(n2)C)ccc1 |
InChI | 1S/C24H24N4O4S/c1-4-31-20-10-17-18(11-21(20)32-5-2)27-22(12-23(29)30)28-24(17)26-16-8-6-7-15(9-16)19
-13-33-14(3)25-19/h6-11,13H,4-5,12H2,1-3H3,(H,29,30)(H,26,27,28) |
InChIKey | XICSNJBVTZIFOD-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 |
10151782
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Drug Bank Link | - |
ChemSpider Link | 8327290 |
ChEMBL Link | CHEMBL341121 |