General Information of the Compound
| Compound ID |
CP0487672
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-hydroxy-N-[6-(3-methoxyphenyl)-1H-pyrazolo[3,4-b]pyridin-3-yl]octanediamide
Show/Hide
|
||||||||||||||||||
| Formula |
C21H25N5O4
|
||||||||||||||||||
| Molecular Weight |
411.462
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(c1)-c1ccc2c(NC(=O)CCCCCCC(=O)NO)n[nH]c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N5O4/c1-30-15-8-6-7-14(13-15)17-12-11-16-20(22-17)24-25-21(16)23-18(27)9-4-2-3-5-10-19(28)26-29/h6-8,11-13,29H,2-5,9-10H2,1H3,(H,26,28)(H2,22,23,24,25,27)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QOASUWXLPXZDDR-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 | |||||||||||||||||||
| 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: PT01499, Histone deacetylase 8