General Information of the Compound
Compound ID
CP0500261
Compound Name
2-fluorophenyl 4-(heptyloxy)phenylcarbamate
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Synonyms
2-fluorophenyl 4-(heptyloxy)phenylcarbamate
CHEMBL610774
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Structure
Formula
C20H24FNO3
Molecular Weight
345.414
Canonical SMILES
CCCCCCCOc1ccc(NC(=O)Oc2ccccc2F)cc1
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InChI
InChI=1S/C20H24FNO3/c1-2-3-4-5-8-15-24-17-13-11-16(12-14-17)22-20(23)25-19-10-7-6-9-18(19)21/h6-7,9-14H,2-5,8,15H2,1H3,(H,22,23)
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InChIKey
SHLSOZYYUDUBRA-UHFFFAOYSA-N
Physicochemical Property
logP
5.7858
Rotatable Bonds
9
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: 20872694
ChEMBL ID
CHEMBL610774
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 = 28 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2-fluorophenyl 4-(heptyloxy)phenylcarbamate )
Drug Name 2-fluorophenyl 4-(heptyloxy)phenylcarbamate