General Property |
Molceule ID (DB) | EGIN0003999 |
Inhibitor Class | Anilino-quinazoline |
Molecule Name in Refrence Article | 3p compound |
IUPAC Name | 6,7-diethoxy-N-[3-(1H-1,2,4-triazol-3-yl)phenyl]quinazolin-4-amine |
Formula | C20H20N6O2 |
Mass | 376.4118 |
Exact Mass | 376.1647739 |
Composition | C (63.82%), H (5.36%), N (22.33%), O (8.5%) |
Atom Count | 48 |
PI | 8.22 |
Smiles | c12c(ncnc1cc(c(c2)OCC)OCC)Nc1cc(c2nc[nH]n2)ccc1 |
InChI | 1S/C20H20N6O2/c1-3-27-17-9-15-16(10-18(17)28-4-2)21-11-22-20(15)25-14-7-5-6-13(8-14)19-23-12-24-26-1
9/h5-12H,3-4H2,1-2H3,(H,21,22,25)(H,23,24,26) |
InChIKey | WGTILZRWWWHQLO-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 |
10215809
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Drug Bank Link | - |
ChemSpider Link | 8391301 |
ChEMBL Link | CHEMBL127367 |