General Information of the Compound
Compound ID
CP0557057
Compound Name
SR-3206
    Show/Hide
Structure
Formula
C12H18N2O2
Molecular Weight
222.288
Canonical SMILES
CCCCNNC(=O)c1ccc(OC)cc1
    Show/Hide
InChI
InChI=1S/C12H18N2O2/c1-3-4-9-13-14-12(15)10-5-7-11(16-2)8-6-10/h5-8,13H,3-4,9H2,1-2H3,(H,14,15)
    Show/Hide
InChIKey
RFMNSSZOADXOBU-UHFFFAOYSA-N
Physicochemical Property
logP
1.7297
Rotatable Bonds
6
Heavy Atom Count
16
Polar Areas
50.36
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
16

"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
CID: 71306436
ChEMBL ID
CHEMBL4747272
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: PT00995, Histone deacetylase 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000013 Sf9 Spodoptera frugiperda (Fall armyworm)  1
1
IC50 = 156.7 nM
   TI
   LI
   LO
   TS