General Information of the Compound
Compound ID
CP0498937
Compound Name
1-(3,4-dichlorophenyl)-3-(7-hydroxynaphthalen-1-yl)urea
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Structure
Formula
C17H12Cl2N2O2
Molecular Weight
347.201
Canonical SMILES
Oc1ccc2cccc(NC(=O)Nc3ccc(Cl)c(Cl)c3)c2c1
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InChI
InChI=1S/C17H12Cl2N2O2/c18-14-7-5-11(8-15(14)19)20-17(23)21-16-3-1-2-10-4-6-12(22)9-13(10)16/h1-9,22H,(H2,20,21,23)
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InChIKey
HYPVVYCUIRGGJB-UHFFFAOYSA-N
Physicochemical Property
logP
5.4962
Rotatable Bonds
2
Heavy Atom Count
23
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
23

"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: 54581582
ChEMBL ID
CHEMBL1779683
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 = 4.5 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 = 4.9 nM
   TI
   LI
   LO
   TS