General Information of the Compound
| Compound ID |
CP0637596
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-7-amino-1-(5-(hydroxymethyl)oxazol-2-yl)-7-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)heptan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H27N5O4
|
||||||||||||||||||
| Molecular Weight |
449.511
|
||||||||||||||||||
| Canonical SMILES |
COc1nc2ccccc2cc1-c1cnc([C@@H](N)CCCCCC(=O)c2ncc(CO)o2)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H27N5O4/c1-32-23-17(11-15-7-5-6-9-19(15)29-23)20-13-26-22(28-20)18(25)8-3-2-4-10-21(31)24-27-12-16(14-30)33-24/h5-7,9,11-13,18,30H,2-4,8,10,14,25H2,1H3,(H,26,28)/t18-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BMEYTXZHJHHKPN-SFHVURJKSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2