General Information of the Compound
Compound ID
CP0459181
Compound Name
1-(7-hydroxynaphthalen-1-yl)-3-m-tolylurea
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Structure
Formula
C18H16N2O2
Molecular Weight
292.338
Canonical SMILES
Cc1cccc(NC(=O)Nc2cccc3ccc(O)cc23)c1
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InChI
InChI=1S/C18H16N2O2/c1-12-4-2-6-14(10-12)19-18(22)20-17-7-3-5-13-8-9-15(21)11-16(13)17/h2-11,21H,1H3,(H2,19,20,22)
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InChIKey
JCBUZWRPLCATEB-UHFFFAOYSA-N
Physicochemical Property
logP
4.49782
Rotatable Bonds
2
Heavy Atom Count
22
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
22

"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: 54581579
ChEMBL ID
CHEMBL1779670
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 = 11 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 = 19 nM
   TI
   LI
   LO
   TS