General Information of the Compound
Compound ID
CP0541659
Compound Name
2-fluorophenyl 4'-ethylbiphenyl-4-ylcarbamate
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Synonyms
2-fluorophenyl 4''-ethylbiphenyl-4-ylcarbamate
2-fluorophenyl 4'-ethylbiphenyl-4-ylcarbamate
BDBM50309731
CHEMBL599180
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Structure
Formula
C21H18FNO2
Molecular Weight
335.378
Canonical SMILES
CCc1ccc(cc1)-c1ccc(NC(=O)Oc2ccccc2F)cc1
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InChI
InChI=1S/C21H18FNO2/c1-2-15-7-9-16(10-8-15)17-11-13-18(14-12-17)23-21(24)25-20-6-4-3-5-19(20)22/h3-14H,2H2,1H3,(H,23,24)
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InChIKey
XHWBLLJZJZYEES-UHFFFAOYSA-N
Physicochemical Property
logP
5.666
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: 20872689
ChEMBL ID
CHEMBL599180
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: PT01099, Fatty-acid amide hydrolase 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000008 H4 Homo sapiens (Human)  1
1
IC50 = 810 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-fluorophenyl 4'-ethylbiphenyl-4-ylcarbamate )
Drug Name 2-fluorophenyl 4'-ethylbiphenyl-4-ylcarbamate