General Information of the Compound
Compound ID
CP0510712
Compound Name
2,4-difluorophenyl 4-butoxybenzylcarbamate
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Synonyms
2,4-difluorophenyl 4-butoxybenzylcarbamate
CHEMBL596875
SCHEMBL5222747
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Structure
Formula
C18H19F2NO3
Molecular Weight
335.35
Canonical SMILES
CCCCOc1ccc(CNC(=O)Oc2ccc(F)cc2F)cc1
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InChI
InChI=1S/C18H19F2NO3/c1-2-3-10-23-15-7-4-13(5-8-15)12-21-18(22)24-17-9-6-14(19)11-16(17)20/h4-9,11H,2-3,10,12H2,1H3,(H,21,22)
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InChIKey
OHKUODJKULFCPB-UHFFFAOYSA-N
Physicochemical Property
logP
4.4323
Rotatable Bonds
7
Heavy Atom Count
24
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 20872684
SID: 51077094
ChEMBL ID
CHEMBL596875
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 = 8.7 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( 2,4-difluorophenyl 4-butoxybenzylcarbamate )
Drug Name 2,4-difluorophenyl 4-butoxybenzylcarbamate