General Information of the Compound
Compound ID
CP0430854
Compound Name
2-fluorophenyl 1-(4-butoxyphenyl)propylcarbamate
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Synonyms
2-fluorophenyl 1-(4-butoxyphenyl)propylcarbamate
CHEMBL597030
SCHEMBL5216198
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Structure
Formula
C20H24FNO3
Molecular Weight
345.414
Canonical SMILES
CCCCOc1ccc(cc1)C(CC)NC(=O)Oc1ccccc1F
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InChI
InChI=1S/C20H24FNO3/c1-3-5-14-24-16-12-10-15(11-13-16)18(4-2)22-20(23)25-19-9-7-6-8-17(19)21/h6-13,18H,3-5,14H2,1-2H3,(H,22,23)
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InChIKey
GDLJXVIFSNBWKP-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).

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PubChem ID
CID: 20872688
SID: 51077093
ChEMBL ID
CHEMBL597030
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 = 7.7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-fluorophenyl 1-(4-butoxyphenyl)propylcarbamate )
Drug Name 2-fluorophenyl 1-(4-butoxyphenyl)propylcarbamate