General Information of the Compound
Compound ID
CP0542726
Compound Name
2-fluorophenyl 4-(decyloxy)phenylcarbamate
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Synonyms
2-fluorophenyl 4-(decyloxy)phenylcarbamate
CHEMBL591825
SCHEMBL5218224
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Structure
Formula
C23H30FNO3
Molecular Weight
387.495
Canonical SMILES
CCCCCCCCCCOc1ccc(NC(=O)Oc2ccccc2F)cc1
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InChI
InChI=1S/C23H30FNO3/c1-2-3-4-5-6-7-8-11-18-27-20-16-14-19(15-17-20)25-23(26)28-22-13-10-9-12-21(22)24/h9-10,12-17H,2-8,11,18H2,1H3,(H,25,26)
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InChIKey
PWZMFAZZDZNTOQ-UHFFFAOYSA-N
Physicochemical Property
logP
6.9561
Rotatable Bonds
12
Heavy Atom Count
28
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 20872692
SID: 51076821
ChEMBL ID
CHEMBL591825
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 = 9.2 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-fluorophenyl 4-(decyloxy)phenylcarbamate )
Drug Name 2-fluorophenyl 4-(decyloxy)phenylcarbamate