General Information of the Compound
Compound ID
CP0441341
Compound Name
1-(7-hydroxynaphthalen-1-yl)-3-(3-(trifluoromethyl)phenyl)urea
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Structure
Formula
C18H13F3N2O2
Molecular Weight
346.308
Canonical SMILES
Oc1ccc2cccc(NC(=O)Nc3cccc(c3)C(F)(F)F)c2c1
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InChI
InChI=1S/C18H13F3N2O2/c19-18(20,21)12-4-2-5-13(9-12)22-17(25)23-16-6-1-3-11-7-8-14(24)10-15(11)16/h1-10,24H,(H2,22,23,25)
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InChIKey
LHGZNGWJOMYGDX-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: 310417
ChEMBL ID
CHEMBL1779665
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: 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 = 3.5 nM
   TI
   LI
   LO
   TS
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 = 4.5 nM
   TI
   LI
   LO
   TS