General Information of the Compound
Compound ID
CP0456352
Compound Name
benzyl N-[3-(4-fluorophenyl)phenyl]carbamate
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Structure
Formula
C20H16FNO2
Molecular Weight
321.351
Canonical SMILES
Fc1ccc(cc1)-c1cccc(NC(=O)OCc2ccccc2)c1
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InChI
InChI=1S/C20H16FNO2/c21-18-11-9-16(10-12-18)17-7-4-8-19(13-17)22-20(23)24-14-15-5-2-1-3-6-15/h1-13H,14H2,(H,22,23)
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InChIKey
RJHBWNDVNNSOOZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.2414
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
38.33
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
2
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: 145970673
ChEMBL ID
CHEMBL4227609
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: PT04537, Monoglyceride lipase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000038 B16-F10 Mus musculus (Mouse)  1
1
IC50 = 15610 nM
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