General Information of the Compound
Compound ID
CP0494405
Compound Name
1-(7-hydroxynaphthalen-1-yl)-3-(2-(trifluoromethyl)phenyl)urea
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Structure
Formula
C18H13F3N2O2
Molecular Weight
346.308
Canonical SMILES
Oc1ccc2cccc(NC(=O)Nc3ccccc3C(F)(F)F)c2c1
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InChI
InChI=1S/C18H13F3N2O2/c19-18(20,21)14-5-1-2-6-16(14)23-17(25)22-15-7-3-4-11-8-9-12(24)10-13(11)15/h1-10,24H,(H2,22,23,25)
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InChIKey
JEIXXLGXDSVBFJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.2082
Rotatable Bonds
2
Heavy Atom Count
25
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
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: 54581568
ChEMBL ID
CHEMBL1779664
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: PT01914, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 64 nM
   TI
   LI
   LO
   TS
Protein ID: PT02183, Transient receptor potential cation channel subfamily V member 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 87 nM
   TI
   LI
   LO
   TS