General Information of the Compound
Compound ID
CP0338175
Compound Name
(3Z)-3-benzylidene-2-benzofuran-1-one
    Show/Hide
Structure
Formula
C15H10O2
Molecular Weight
222.243
Canonical SMILES
O=C1O\C(=C/c2ccccc2)c2ccccc12
    Show/Hide
InChI
InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10-
    Show/Hide
InChIKey
YRTPZXMEBGTPLM-UVTDQMKNSA-N
CAS
575-61-1
Physicochemical Property
logP
3.3551
Rotatable Bonds
1
Heavy Atom Count
17
Polar Areas
26.3
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
17

"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: 642371
SID: 14941257
ChEMBL ID
CHEMBL67365
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 = 3000 nM
   TI
   LI
   LO
   TS
2
IC50 = 2900 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 = 8300 nM
   TI
   LI
   LO
   TS
2
IC50 = 10200 nM
   TI
   LI
   LO
   TS