General Information of the Compound
Compound ID
CP0562921
Compound Name
US9139546, 26
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Structure
Formula
C20H16O3
Molecular Weight
304.345
Canonical SMILES
Cc1cccc(c1)-c1c(O)cc(cc1O)C(=O)c1ccccc1
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InChI
InChI=1S/C20H16O3/c1-13-6-5-9-15(10-13)19-17(21)11-16(12-18(19)22)20(23)14-7-3-2-4-8-14/h2-12,21-22H,1H3
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InChIKey
XZSOYNRGFUZBKR-UHFFFAOYSA-N
Physicochemical Property
logP
4.30422
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
57.53
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 25030038
SID: 56380770
ChEMBL ID
CHEMBL3907723
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: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
EC50 = 1659.59 nM
   TI
   LI
   LO
   TS
CL000043 U2OS Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS