General Information of the Compound
Compound ID
CP0490694
Compound Name
3-Dibenzofuran-4-yl-cyclohex-2-enone
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Structure
Formula
C18H14O2
Molecular Weight
262.308
Canonical SMILES
O=C1CCCC(=C1)c1cccc2c3ccccc3oc12
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InChI
InChI=1S/C18H14O2/c19-13-6-3-5-12(11-13)14-8-4-9-16-15-7-1-2-10-17(15)20-18(14)16/h1-2,4,7-11H,3,5-6H2
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InChIKey
SLEJCVPSXWRGSA-UHFFFAOYSA-N
Physicochemical Property
logP
4.7224
Rotatable Bonds
1
Heavy Atom Count
20
Polar Areas
30.21
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
2
Complexity
20

"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: 24747308
ChEMBL ID
CHEMBL488629
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: PT03954, Calmodulin-sensitive adenylate cyclase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000014 RAW 264.7 Mus musculus (Mouse)  1
1
IC50 > 100000 nM
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