General Information of the Compound
Compound ID
CP0237703
Compound Name
furan-2-ylmethyl N-[3-[4-(trifluoromethyl)phenyl]phenyl]carbamate
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Structure
Formula
C19H14F3NO3
Molecular Weight
361.319
Canonical SMILES
FC(F)(F)c1ccc(cc1)-c1cccc(NC(=O)OCc2ccco2)c1
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InChI
InChI=1S/C19H14F3NO3/c20-19(21,22)15-8-6-13(7-9-15)14-3-1-4-16(11-14)23-18(24)26-12-17-5-2-10-25-17/h1-11H,12H2,(H,23,24)
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InChIKey
PZXGURTZSMESRQ-UHFFFAOYSA-N
Physicochemical Property
logP
5.7141
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
51.47
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 145970662
ChEMBL ID
CHEMBL4227348
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 = 13190 nM
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