General Information of the Compound
| Compound ID |
CP0513640
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
methyl (2S)-2-[[9-(hydroxyamino)-9-oxononanoyl]amino]-3-(4-naphthalen-2-ylphenyl)propanoate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C29H34N2O5
|
||||||||||||||||||
| Molecular Weight |
490.6
|
||||||||||||||||||
| Canonical SMILES |
COC(=O)[C@H](Cc1ccc(cc1)-c1ccc2ccccc2c1)NC(=O)CCCCCCCC(=O)NO
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C29H34N2O5/c1-36-29(34)26(30-27(32)11-5-3-2-4-6-12-28(33)31-35)19-21-13-15-23(16-14-21)25-18-17-22-9-7-8-10-24(22)20-25/h7-10,13-18,20,26,35H,2-6,11-12,19H2,1H3,(H,30,32)(H,31,33)/t26-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKSGUYGGVBFTEX-SANMLTNESA-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: PT01213, Histone deacetylase 6