General Information of the Compound
Compound ID
CP0376408
Compound Name
(3Z)-3-[(4-chlorophenyl)methylidene]-2-benzofuran-1-one
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Structure
Formula
C15H9ClO2
Molecular Weight
256.688
Canonical SMILES
Clc1ccc(\C=C2/OC(=O)c3ccccc23)cc1
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InChI
InChI=1S/C15H9ClO2/c16-11-7-5-10(6-8-11)9-14-12-3-1-2-4-13(12)15(17)18-14/h1-9H/b14-9-
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InChIKey
OHRFHJYUEWVXBD-ZROIWOOFSA-N
CAS
20526-97-0
Physicochemical Property
logP
4.0085
Rotatable Bonds
1
Heavy Atom Count
18
Polar Areas
26.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
18

"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: 6538043
ChEMBL ID
CHEMBL304786
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: PT02148, 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)  2
1
EC50 = 2000 nM
   TI
   LI
   LO
   TS
2
IC50 = 1500 nM
   TI
   LI
   LO
   TS
Protein ID: PT05529, Transient receptor potential cation channel subfamily M member 8
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 14900 nM
   TI
   LI
   LO
   TS
2
IC50 = 48100 nM
   TI
   LI
   LO
   TS