General Information of the Compound
Compound ID
CP0510703
Compound Name
4-fluorophenyl 4-butoxybenzylcarbamate
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Synonyms
4-fluorophenyl 4-butoxybenzylcarbamate
CHEMBL607558
SCHEMBL5216504
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Structure
Formula
C18H20FNO3
Molecular Weight
317.36
Canonical SMILES
CCCCOc1ccc(CNC(=O)Oc2ccc(F)cc2)cc1
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InChI
InChI=1S/C18H20FNO3/c1-2-3-12-22-16-8-4-14(5-9-16)13-20-18(21)23-17-10-6-15(19)7-11-17/h4-11H,2-3,12-13H2,1H3,(H,20,21)
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InChIKey
BVPXJSVMJYBIRX-UHFFFAOYSA-N
Physicochemical Property
logP
4.2932
Rotatable Bonds
7
Heavy Atom Count
23
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
23

"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: 20872770
SID: 51076824
ChEMBL ID
CHEMBL607558
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 = 4.6 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 4-fluorophenyl 4-butoxybenzylcarbamate )
Drug Name 4-fluorophenyl 4-butoxybenzylcarbamate