General Information of the Compound
Compound ID
CP0509702
Compound Name
4-fluorophenyl 1-(4-butoxyphenyl)propylcarbamate
    Show/Hide
Synonyms
4-fluorophenyl 1-(4-butoxyphenyl)propylcarbamate
CHEMBL604388
SCHEMBL5215965
    Show/Hide
Structure
Formula
C20H24FNO3
Molecular Weight
345.414
Canonical SMILES
CCCCOc1ccc(cc1)C(CC)NC(=O)Oc1ccc(F)cc1
    Show/Hide
InChI
InChI=1S/C20H24FNO3/c1-3-5-14-24-17-10-6-15(7-11-17)19(4-2)22-20(23)25-18-12-8-16(21)9-13-18/h6-13,19H,3-5,14H2,1-2H3,(H,22,23)
    Show/Hide
InChIKey
IEKBPHHXDXKATO-UHFFFAOYSA-N
Physicochemical Property
logP
5.2443
Rotatable Bonds
8
Heavy Atom Count
25
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 20872768
SID: 51077096
ChEMBL ID
CHEMBL604388
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 = 12 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-fluorophenyl 1-(4-butoxyphenyl)propylcarbamate )
Drug Name 4-fluorophenyl 1-(4-butoxyphenyl)propylcarbamate