General Property |
Molceule ID (DB) | EGIN0004287 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 5 compound |
IUPAC Name | 6-({4-[(3-chloro-4-fluorophenyl)amino]-7-methoxyquinazolin-6-yl}oxy)-N-hydroxyhexanamide |
Formula | C21H22ClFN4O4 |
Mass | 448.875 |
Exact Mass | 448.1313611 |
Composition | C (56.19%), H (4.94%), Cl (7.9%), F (4.23%), N (12.48%), O (14.26%) |
Atom Count | 53 |
PI | 6.75 |
Smiles | c1(c(cc2c(c1)c(ncn2)Nc1cc(c(cc1)F)Cl)OC)OCCCCCC(=O)NO |
InChI | 1S/C21H22ClFN4O4/c1-30-18-11-17-14(10-19(18)31-8-4-2-3-5-20(28)27-29)21(25-12-24-17)26-13-6-7-16(23)
15(22)9-13/h6-7,9-12,29H,2-5,8H2,1H3,(H,27,28)(H,24,25,26) |
InChIKey | CADRLZXVKIQPSG-UHFFFAOYSA-N |
2D Structure | ![](./image/EGIN0004287.png) | Structure Backbone | ![](./frame/f_EGIN0004287.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 | 24650793 |
ChEMBL Link | CHEMBL598163 |