General Property |
Molceule ID (DB) | EGIN0000183 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 22 compound |
IUPAC Name | 6-chloro-2-(4-methylphenyl)-4-(phenylmethane)sulfonylquinazoline |
Formula | C22H17ClN2O2S |
Mass | 408.901 |
Exact Mass | 408.0699262 |
Composition | C (64.62%), H (4.19%), Cl (8.67%), N (6.85%), O (7.83%), S (7.84%) |
Atom Count | 45 |
PI | 7.19 |
Smiles | n1c(c2c(nc1c1ccc(cc1)C)ccc(c2)Cl)S(=O)(=O)Cc1ccccc1 |
InChI | 1S/C22H17ClN2O2S/c1-15-7-9-17(10-8-15)21-24-20-12-11-18(23)13-19(20)22(25-21)28(26,27)14-16-5-3-2-4-
6-16/h2-13H,14H2,1H3 |
InChIKey | DXDIYANURWGCFA-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 | 20599299 |
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 |
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Drug Bank Link | - |
ChemSpider Link | 26352182 |
ChEMBL Link | CHEMBL1242442 |