General Information of the Compound
| Compound ID |
CP0454530
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N'-hydroxy-N-[4-(2-methylanilino)thieno[3,2-d]pyrimidin-6-yl]octanediamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H25N5O3S
|
||||||||||||||||||
| Molecular Weight |
427.53
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1Nc1ncnc2cc(NC(=O)CCCCCCC(=O)NO)sc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H25N5O3S/c1-14-8-6-7-9-15(14)24-21-20-16(22-13-23-21)12-19(30-20)25-17(27)10-4-2-3-5-11-18(28)26-29/h6-9,12-13,29H,2-5,10-11H2,1H3,(H,25,27)(H,26,28)(H,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
DFCKIDWUCNZKQX-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6