General Information of the Compound
Compound ID
CP0383135
Compound Name
N-cycloheptyl-2-methoxy-3-methyl-5-phenylbenzamide
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Structure
Formula
C22H27NO2
Molecular Weight
337.463
Canonical SMILES
COc1c(C)cc(cc1C(=O)NC1CCCCCC1)-c1ccccc1
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InChI
InChI=1S/C22H27NO2/c1-16-14-18(17-10-6-5-7-11-17)15-20(21(16)25-2)22(24)23-19-12-8-3-4-9-13-19/h5-7,10-11,14-15,19H,3-4,8-9,12-13H2,1-2H3,(H,23,24)
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InChIKey
JWPRLTRMNRVCLQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.12322
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
Complexity
25

"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: 118726688
ChEMBL ID
CHEMBL3397448
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: PT01298, Cannabinoid receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 656 nM
   TI
   LI
   LO
   TS
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 870 nM
   TI
   LI
   LO
   TS
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
Ki = 100 nM
   TI
   LI
   LO
   TS
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 148 nM
   TI
   LI
   LO
   TS