General Property |
Molceule ID (DB) | EGIN0003998 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3o compound |
IUPAC Name | 6,7-diethoxy-N-[3-(furan-2-yl)phenyl]quinazolin-4-amine |
Formula | C22H21N3O3 |
Mass | 375.4204 |
Exact Mass | 375.1582916 |
Composition | C (70.38%), H (5.64%), N (11.19%), O (12.79%) |
Atom Count | 49 |
PI | 10.28 |
Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2occc2)ccc1 |
InChI | 1S/C22H21N3O3/c1-3-26-20-12-17-18(13-21(20)27-4-2)23-14-24-22(17)25-16-8-5-7-15(11-16)19-9-6-10-28-1
9/h5-14H,3-4H2,1-2H3,(H,23,24,25) |
InChIKey | BIWPVOALWJBGSX-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 |
10309300
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Drug Bank Link | - |
ChemSpider Link | 8484766 |
ChEMBL Link | CHEMBL125086 |