General Property |
Molceule ID (DB) | EGIN0004303 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 21 compound |
IUPAC Name | 7-[(4-{[(1S)-1-(4-fluorophenyl)ethyl]amino}-7-methoxyquinazolin-6-yl)oxy]-N-hydroxyheptanamide |
Formula | C24H29FN4O4 |
Mass | 456.5099 |
Exact Mass | 456.2172836 |
Composition | C (63.14%), H (6.4%), F (4.16%), N (12.27%), O (14.02%) |
Atom Count | 62 |
PI | 7.13 |
Smiles | c1(c(cc2c(c1)c(ncn2)N[C@H](c1ccc(cc1)F)C)OC)OCCCCCCC(=O)NO |
InChI | 1S/C24H29FN4O4/c1-16(17-8-10-18(25)11-9-17)28-24-19-13-22(21(32-2)14-20(19)26-15-27-24)33-12-6-4-3-5
-7-23(30)29-31/h8-11,13-16,31H,3-7,12H2,1-2H3,(H,29,30)(H,26,27,28)/t16-/m0/s1 |
InChIKey | KHRPCRNETLJSDS-INIZCTEOSA-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 | 24650015 |
ChEMBL Link | CHEMBL598406 |