General Information of the Compound
Compound ID
CP0563638
Compound Name
4-chloranyl-2-(2-naphthalen-1-yloxyethanoylamino)benzoic acid
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Structure
Formula
C19H14ClNO4
Molecular Weight
355.777
Canonical SMILES
OC(=O)c1ccc(Cl)cc1NC(=O)COc1cccc2ccccc12
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InChI
InChI=1S/C19H14ClNO4/c20-13-8-9-15(19(23)24)16(10-13)21-18(22)11-25-17-7-3-5-12-4-1-2-6-14(12)17/h1-10H,11H2,(H,21,22)(H,23,24)
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InChIKey
OKFVCWAYHJMQFA-UHFFFAOYSA-N
Physicochemical Property
logP
4.2089
Rotatable Bonds
5
Heavy Atom Count
25
Polar Areas
75.63
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 1295523
ChEMBL ID
CHEMBL1408302
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: PT05546, Transient receptor potential cation channel subfamily M member 4
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 400 nM
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