General Information of the Compound
| Compound ID |
CP0253335
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9216962, CFH403-1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H18N4O3S2
|
||||||||||||||||||
| Molecular Weight |
402.501
|
||||||||||||||||||
| Canonical SMILES |
CC(C)Cc1sc(nc1C(=O)Nc1ccc(cc1)C(=O)NO)-c1nccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H18N4O3S2/c1-10(2)9-13-14(21-18(27-13)17-19-7-8-26-17)16(24)20-12-5-3-11(4-6-12)15(23)22-25/h3-8,10,25H,9H2,1-2H3,(H,20,24)(H,22,23)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XVHUBRKBAJZQFX-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