General Information of the Compound
Compound ID
CP0497011
Compound Name
1-(2,4-Dichloro-benzyl)-3-(7-hydroxy-naphthalen-1-yl)-urea
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Structure
Formula
C18H14Cl2N2O2
Molecular Weight
361.228
Canonical SMILES
Oc1ccc2cccc(NC(=O)NCc3ccc(Cl)cc3Cl)c2c1
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InChI
InChI=1S/C18H14Cl2N2O2/c19-13-6-4-12(16(20)8-13)10-21-18(24)22-17-3-1-2-11-5-7-14(23)9-15(11)17/h1-9,23H,10H2,(H2,21,22,24)
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InChIKey
OJGHSCDHTGTBNJ-UHFFFAOYSA-N
Physicochemical Property
logP
5.1739
Rotatable Bonds
3
Heavy Atom Count
24
Polar Areas
61.36
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
2
Complexity
24

"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: 9975827
SID: 14953585
ChEMBL ID
CHEMBL147028
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)  1
1
Ki = 2.8 nM
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