General Information of the Compound
Compound ID
CP0396317
Compound Name
N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-4-methylpyridine-3-carboxamide
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Structure
Formula
C21H25FN2O2
Molecular Weight
356.441
Canonical SMILES
Cc1ccnc(OCc2ccc(F)cc2)c1C(=O)NC1CCCCCC1
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InChI
InChI=1S/C21H25FN2O2/c1-15-12-13-23-21(26-14-16-8-10-17(22)11-9-16)19(15)20(25)24-18-6-4-2-3-5-7-18/h8-13,18H,2-7,14H2,1H3,(H,24,25)
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InChIKey
FQBDLLQDJPGLMU-UHFFFAOYSA-N
Physicochemical Property
logP
4.56072
Rotatable Bonds
5
Heavy Atom Count
26
Polar Areas
51.22
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 145956825
ChEMBL ID
CHEMBL4163771
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)  2
1
EC50 = 229 nM
   TI
   LI
   LO
   TS
2
Ki = 131 nM
   TI
   LI
   LO
   TS
Protein ID: PT00834, Cannabinoid receptor 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  2
1
EC50 = 31 nM
   TI
   LI
   LO
   TS
2
Ki = 46.3 nM
   TI
   LI
   LO
   TS
Protein ID: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06316, Lysophosphatidylserine lipase ABHD12
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02720, Monoacylglycerol lipase ABHD6
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT01782, Monoglyceride lipase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000100 U-937 Homo sapiens (Human)  1
1
IC50 > 10000 nM
   TI
   LI
   LO
   TS