General Information of the Compound
| Compound ID |
CP0003091
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[4-[[4-ethoxy-3-(1-methyl-7-oxo-3-propyl-6H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl]methyl]phenyl]-N-hydroxyacetamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H29N5O4
|
||||||||||||||||||
| Molecular Weight |
475.549
|
||||||||||||||||||
| Canonical SMILES |
CCCc1nn(C)c2c1nc([nH]c2=O)-c1cc(Cc2ccc(CC(=O)NO)cc2)ccc1OCC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H29N5O4/c1-4-6-20-23-24(31(3)29-20)26(33)28-25(27-23)19-14-18(11-12-21(19)35-5-2)13-16-7-9-17(10-8-16)15-22(32)30-34/h7-12,14,34H,4-6,13,15H2,1-3H3,(H,30,32)(H,27,28,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AFVWNFJXGSIJSF-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: PT01176, cGMP-specific 3',5'-cyclic phosphodiesterase
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT01213, Histone deacetylase 6