General Property |
Molceule ID (DB) | EGIN0003994 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3g compound |
IUPAC Name | 6,7-diethoxy-N-[3-(2-methyl-1,3-oxazol-5-yl)phenyl]quinazolin-4-amine |
Formula | C22H22N4O3 |
Mass | 390.4351 |
Exact Mass | 390.1691906 |
Composition | C (67.68%), H (5.68%), N (14.35%), O (12.29%) |
Atom Count | 51 |
PI | 10.26 |
Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2oc(nc2)C)ccc1 |
InChI | 1S/C22H22N4O3/c1-4-27-19-10-17-18(11-20(19)28-5-2)24-13-25-22(17)26-16-8-6-7-15(9-16)21-12-23-14(3)2
9-21/h6-13H,4-5H2,1-3H3,(H,24,25,26) |
InChIKey | HCRQUXVUWLPHQQ-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 |
10172837
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Drug Bank Link | - |
ChemSpider Link | 8348342 |
ChEMBL Link | CHEMBL126653 |