General Information of the Compound
Compound ID
CP0496409
Compound Name
1-Benzyl-3-(7-hydroxy-naphthalen-1-yl)-1-methyl-urea
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Structure
Formula
C19H18N2O2
Molecular Weight
306.365
Canonical SMILES
CN(Cc1ccccc1)C(=O)Nc1cccc2ccc(O)cc12
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InChI
InChI=1S/C19H18N2O2/c1-21(13-14-6-3-2-4-7-14)19(23)20-18-9-5-8-15-10-11-16(22)12-17(15)18/h2-12,22H,13H2,1H3,(H,20,23)
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InChIKey
HXIZBBZMZUYFQM-UHFFFAOYSA-N
Physicochemical Property
logP
4.2093
Rotatable Bonds
3
Heavy Atom Count
23
Polar Areas
52.57
Hydrogen Bond Donor Count
2
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: 10425263
SID: 15444310
ChEMBL ID
CHEMBL262816
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 > 10000 nM
   TI
   LI
   LO
   TS
2
Ki > 10000 nM
   TI
   LI
   LO
   TS