General Information of the Compound
| Compound ID |
CP0014760
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-hydroxy-4-[[3-(1-methylpyrrolidin-2-yl)indol-1-yl]methyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23N3O2
|
||||||||||||||||||
| Molecular Weight |
349.434
|
||||||||||||||||||
| Canonical SMILES |
CN1CCCC1c1cn(Cc2ccc(cc2)C(=O)NO)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23N3O2/c1-23-12-4-7-19(23)18-14-24(20-6-3-2-5-17(18)20)13-15-8-10-16(11-9-15)21(25)22-26/h2-3,5-6,8-11,14,19,26H,4,7,12-13H2,1H3,(H,22,25)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JTPYEZDXQILRLC-UHFFFAOYSA-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
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01443, Polyamine deacetylase HDAC10