General Information of the Compound
Compound ID
CP0476847
Compound Name
3-(7-hydroxynaphthalen-1-yl)-1-phenylurea
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Structure
Formula
C17H14N2O2
Molecular Weight
278.311
Canonical SMILES
Oc1ccc2cccc(NC(=O)Nc3ccccc3)c2c1
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InChI
InChI=1S/C17H14N2O2/c20-14-10-9-12-5-4-8-16(15(12)11-14)19-17(21)18-13-6-2-1-3-7-13/h1-11,20H,(H2,18,19,21)
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InChIKey
UUAPFBCLZLDKHG-UHFFFAOYSA-N
Physicochemical Property
logP
4.1894
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
21

"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: 5330587
SID: 16097124
ChEMBL ID
CHEMBL342003
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 = 29 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 = 53 nM
   TI
   LI
   LO
   TS