General Information of the Compound
Compound ID
CP0483443
Compound Name
1-(4-chloro-3-(trifluoromethyl)phenyl)-3-(2,3-dichloro-7-hydroxynaphthalen-1-yl)urea
    Show/Hide
Structure
Formula
C18H10Cl3F3N2O2
Molecular Weight
449.643
Canonical SMILES
Oc1ccc2cc(Cl)c(Cl)c(NC(=O)Nc3ccc(Cl)c(c3)C(F)(F)F)c2c1
    Show/Hide
InChI
InChI=1S/C18H10Cl3F3N2O2/c19-13-4-2-9(6-12(13)18(22,23)24)25-17(28)26-16-11-7-10(27)3-1-8(11)5-14(20)15(16)21/h1-7,27H,(H2,25,26,28)
    Show/Hide
InChIKey
RIISTRRKNKGBFH-UHFFFAOYSA-N
Physicochemical Property
logP
7.1684
Rotatable Bonds
2
Heavy Atom Count
28
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
28

"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).

    Show/Hide
Click to Show/Hide the External Link(s) of This Compound
PubChem ID
CID: 54580597
ChEMBL ID
CHEMBL1779840
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 = 2.1 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 = 5.9 nM
   TI
   LI
   LO
   TS