General Information of the Compound
| Compound ID |
CP0906814
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(S)-N-(1-(5-(2-methoxyquinolin-3-yl)-1H-imidazol-2-yl)nonyl)-1-methylazetidine-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Formula |
C27H37N5O2
|
||||||||||||||||||
| Molecular Weight |
463.626
|
||||||||||||||||||
| Canonical SMILES |
CCCCCCCC[C@H](NC(=O)C1CN(C)C1)c1ncc(-c2cc3ccccc3nc2OC)[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C27H37N5O2/c1-4-5-6-7-8-9-14-23(30-26(33)20-17-32(2)18-20)25-28-16-24(29-25)21-15-19-12-10-11-13-22(19)31-27(21)34-3/h10-13,15-16,20,23H,4-9,14,17-18H2,1-3H3,(H,28,29)(H,30,33)/t23-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
MKZIQYVLEDCPQU-QHCPKHFHSA-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 | |||||||||||||||||||
| 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
Protein ID: PT00995, Histone deacetylase 3