General Information of the Compound
Compound ID
CP0509674
Compound Name
3-(furan-3-yl)cyclohex-2-enone
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Structure
Formula
C10H10O2
Molecular Weight
162.188
Canonical SMILES
O=C1CCCC(=C1)c1ccoc1
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InChI
InChI=1S/C10H10O2/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h4-7H,1-3H2
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InChIKey
XOERWVAEXLDBLP-UHFFFAOYSA-N
Physicochemical Property
logP
2.416
Rotatable Bonds
1
Heavy Atom Count
12
Polar Areas
30.21
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: 25234470
SID: 57586419
ChEMBL ID
CHEMBL486250
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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   LI
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