General Property |
Molceule ID (DB) | EGIN0001959 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 8n compound |
IUPAC Name | 6,7-diethoxy-4-[2-(3-phenyl-1H-pyrrol-2-yl)ethynyl]quinazoline |
Formula | C24H21N3O2 |
Mass | 383.4424 |
Exact Mass | 383.1633769 |
Composition | C (75.18%), H (5.52%), N (10.96%), O (8.35%) |
Atom Count | 50 |
PI | 8.55 |
Smiles | c1(c(cc2c(c1)c(ncn2)C#Cc1[nH]ccc1c1ccccc1)OCC)OCC |
InChI | 1S/C24H21N3O2/c1-3-28-23-14-19-21(26-16-27-22(19)15-24(23)29-4-2)11-10-20-18(12-13-25-20)17-8-6-5-7-
9-17/h5-9,12-16,25H,3-4H2,1-2H3 |
InChIKey | ZHIZSMKXLCRVFN-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 | 17869510 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | No activity data against other kinases present in database |
Pub Chem Link |
44442184
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Drug Bank Link | - |
ChemSpider Link | 23306772 |
ChEMBL Link | CHEMBL251124 |