General Information of the Compound
Compound ID
CP0914722
Compound Name
alpha-Methylcinnamaldoxime
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Structure
Formula
C10H10ClNO
Molecular Weight
195.649
Canonical SMILES
CC(/C=N/O)=C\c1ccc(Cl)cc1
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InChI
InChI=1S/C10H10ClNO/c1-8(7-12-13)6-9-2-4-10(11)5-3-9/h2-7,13H,1H3/b8-6+,12-7+
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InChIKey
BIRMMOKEXDRBDP-ULBORTECSA-N
Physicochemical Property
logP
3.2033
Rotatable Bonds
2
Heavy Atom Count
13
Polar Areas
32.59
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
13

"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).

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PubChem ID
CID: 13634756
ChEMBL ID
CHEMBL589873
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 = 69400 nM
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