General Information of the Compound
Compound ID
CP0914721
Compound Name
3-[4-(Dimethylamino)phenyl]acrylaldehyde oxime
    Show/Hide
Structure
Formula
C11H14N2O
Molecular Weight
190.246
Canonical SMILES
CN(C)c1ccc(/C=C/C=N/O)cc1
    Show/Hide
InChI
InChI=1S/C11H14N2O/c1-13(2)11-7-5-10(6-8-11)4-3-9-12-14/h3-9,14H,1-2H3/b4-3+,12-9+
    Show/Hide
InChIKey
VVXNJNRNJLPFCT-GMHKHPCXSA-N
CAS
83387-07-9
Physicochemical Property
logP
2.2258
Rotatable Bonds
3
Heavy Atom Count
14
Polar Areas
35.83
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
14

"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: 9576928
ChEMBL ID
CHEMBL590846
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: PT02149, Transient receptor potential cation channel subfamily A member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 15900 nM
   TI
   LI
   LO
   TS