General Information of the Compound
Compound ID
CP0507583
Compound Name
4-Chloro-N-(7-hydroxy-naphthalen-1-yl)-benzamide
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Structure
Formula
C17H12ClNO2
Molecular Weight
297.741
Canonical SMILES
Oc1ccc2cccc(NC(=O)c3ccc(Cl)cc3)c2c1
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InChI
InChI=1S/C17H12ClNO2/c18-13-7-4-12(5-8-13)17(21)19-16-3-1-2-11-6-9-14(20)10-15(11)16/h1-10,20H,(H,19,21)
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InChIKey
IJSJNBZVJRZUGY-UHFFFAOYSA-N
Physicochemical Property
logP
4.4511
Rotatable Bonds
2
Heavy Atom Count
21
Polar Areas
49.33
Hydrogen Bond Donor Count
2
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: 23344732
ChEMBL ID
CHEMBL146744
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
IC50 = 320 nM
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