General Property |
Molceule ID (DB) | EGIN0004300 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 18 compound |
IUPAC Name | 7-[(4-{[(4-fluorophenyl)methyl]amino}-7-methoxyquinazolin-6-yl)oxy]-N-hydroxyheptanamide |
Formula | C23H27FN4O4 |
Mass | 442.4833 |
Exact Mass | 442.2016336 |
Composition | C (62.43%), H (6.15%), F (4.29%), N (12.66%), O (14.46%) |
Atom Count | 59 |
PI | 7.14 |
Smiles | c1(c(cc2c(c1)c(ncn2)NCc1ccc(cc1)F)OC)OCCCCCCC(=O)NO |
InChI | 1S/C23H27FN4O4/c1-31-20-13-19-18(12-21(20)32-11-5-3-2-4-6-22(29)28-30)23(27-15-26-19)25-14-16-7-9-17
(24)10-8-16/h7-10,12-13,15,30H,2-6,11,14H2,1H3,(H,28,29)(H,25,26,27) |
InChIKey | CNAYRPIRUOIQNH-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004300.png) | Structure Backbone | ![](./frame/f_EGIN0004300.png) |
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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 | 24648923 |
ChEMBL Link | CHEMBL596964 |