General Information of the Compound
Compound ID
CP0388018
Compound Name
5-methyl-3-methylidene-2-benzofuran-1-one
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Structure
Formula
C10H8O2
Molecular Weight
160.172
Canonical SMILES
Cc1ccc2C(=O)OC(=C)c2c1
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InChI
InChI=1S/C10H8O2/c1-6-3-4-8-9(5-6)7(2)12-10(8)11/h3-5H,2H2,1H3
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InChIKey
XILMHOQHLRSOBS-UHFFFAOYSA-N
Physicochemical Property
logP
2.13612
Rotatable Bonds
0
Heavy Atom Count
12
Polar Areas
26.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
12

"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: 73356893
ChEMBL ID
CHEMBL2430157
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 = 50800 nM
   TI
   LI
   LO
   TS
2
IC50 > 100000 nM
   TI
   LI
   LO
   TS