General Property |
Molceule ID (DB) | EGIN0004295 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 13 compound |
IUPAC Name | N-{4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}-N'-hydroxyoctanediamide |
Formula | C23H25ClFN5O4 |
Mass | 489.927 |
Exact Mass | 489.1579102 |
Composition | C (56.39%), H (5.14%), Cl (7.24%), F (3.88%), N (14.29%), O (13.06%) |
Atom Count | 59 |
PI | 6.67 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)NC(=O)CCCCCCC(=O)NO |
InChI | 1S/C23H25ClFN5O4/c1-34-20-12-18-15(23(27-13-26-18)28-14-8-9-17(25)16(24)10-14)11-19(20)29-21(31)6-4-
2-3-5-7-22(32)30-33/h8-13,33H,2-7H2,1H3,(H,29,31)(H,30,32)(H,26,27,28) |
InChIKey | SNGQUXXOIHSAPK-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004295.png) | Structure Backbone | ![](./frame/f_EGIN0004295.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 | 24650597 |
ChEMBL Link | CHEMBL597773 |