General Information of the Compound
| Compound ID |
CP0445437
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-cyclopentyl-2-(phenylformamido)-7-sulfanylheptanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H28N2O2S
|
||||||||||||||||||
| Molecular Weight |
348.512
|
||||||||||||||||||
| Canonical SMILES |
SCCCCC[C@H](NC(=O)c1ccccc1)C(=O)NC1CCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H28N2O2S/c22-18(15-9-3-1-4-10-15)21-17(13-5-2-8-14-24)19(23)20-16-11-6-7-12-16/h1,3-4,9-10,16-17,24H,2,5-8,11-14H2,(H,20,23)(H,21,22)/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IKSCZYXAUUPGHW-KRWDZBQOSA-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: PT00994, Histone deacetylase 4
Protein ID: PT03064, Histone deacetylase 6