General Information of the Compound
Compound ID
CP0454407
Compound Name
1-benzyl-3-(7-hydroxynaphthalen-1-yl)urea
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Structure
Formula
C18H16N2O2
Molecular Weight
292.338
Canonical SMILES
Oc1ccc2cccc(NC(=O)NCc3ccccc3)c2c1
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InChI
InChI=1S/C18H16N2O2/c21-15-10-9-14-7-4-8-17(16(14)11-15)20-18(22)19-12-13-5-2-1-3-6-13/h1-11,21H,12H2,(H2,19,20,22)
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InChIKey
NTZXOVWJUVTXIF-UHFFFAOYSA-N
Physicochemical Property
logP
3.8671
Rotatable Bonds
3
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: 5330591
SID: 15096942
ChEMBL ID
CHEMBL139989
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
CL000006 HEK293 Homo sapiens (Human)  2
1
IC50 = 45 nM
   TI
   LI
   LO
   TS
2
Ki = 94 nM
   TI
   LI
   LO
   TS