General Property |
Molceule ID (DB) | EGIN0004301 |
Inhibitor Class | Quinazoline |
Molecule Name in Refrence Article | 19 compound |
IUPAC Name | N-hydroxy-7-[(7-methoxy-4-{[(1R)-1-phenylethyl]amino}quinazolin-6-yl)oxy]heptanamide |
Formula | C24H30N4O4 |
Mass | 438.5194 |
Exact Mass | 438.2267055 |
Composition | C (65.73%), H (6.9%), N (12.78%), O (14.59%) |
Atom Count | 62 |
PI | 7.13 |
Smiles | c1(c(cc2c(c1)c(ncn2)N[C@@H](c1ccccc1)C)OC)OCCCCCCC(=O)NO |
InChI | 1S/C24H30N4O4/c1-17(18-10-6-5-7-11-18)27-24-19-14-22(21(31-2)15-20(19)25-16-26-24)32-13-9-4-3-8-12-2
3(29)28-30/h5-7,10-11,14-17,30H,3-4,8-9,12-13H2,1-2H3,(H,28,29)(H,25,26,27)/t17-/m1/s1 |
InChIKey | VPPDBLLRRNCUSU-QGZVFWFLSA-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 | 24654971 |
ChEMBL Link | CHEMBL599218 |