General Property |
Molceule ID (DB) | EGIN0004296 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 14 compound |
IUPAC Name | 7-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}sulfanyl)-N-hydroxyheptanamide |
Formula | C22H24ClFN4O3S |
Mass | 478.967 |
Exact Mass | 478.1241673 |
Composition | C (55.17%), H (5.05%), Cl (7.4%), F (3.97%), N (11.7%), O (10.02%), S (6.69%) |
Atom Count | 56 |
PI | 6.65 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)SCCCCCCC(=O)NO |
InChI | 1S/C22H24ClFN4O3S/c1-31-19-12-18-15(11-20(19)32-9-5-3-2-4-6-21(29)28-30)22(26-13-25-18)27-14-7-8-17(
24)16(23)10-14/h7-8,10-13,30H,2-6,9H2,1H3,(H,28,29)(H,25,26,27) |
InChIKey | IXWWFHBAOSNFBD-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 | 20143778 |
Compounds from Reference | Other compounds from reference |
Find Similar Compounds | |
Reported activity against other enzymes | HDAC | |
Pub Chem Link |
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Drug Bank Link | - |
ChemSpider Link | 24648208 |
ChEMBL Link | CHEMBL596754 |