General Information of the Compound
Compound ID
CP0549468
Compound Name
N-[4-(4-chloronaphthalen-1-yl)oxyphenyl]acetamide
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Formula
C18H14ClNO2
Molecular Weight
311.768
Canonical SMILES
CC(=O)Nc1ccc(Oc2ccc(Cl)c3ccccc23)cc1
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InChI
InChI=1S/C18H14ClNO2/c1-12(21)20-13-6-8-14(9-7-13)22-18-11-10-17(19)15-4-2-3-5-16(15)18/h2-11H,1H3,(H,20,21)
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InChIKey
NGPQXUQHQLUWLR-UHFFFAOYSA-N
Physicochemical Property
logP
5.2439
Rotatable Bonds
3
Heavy Atom Count
22
Polar Areas
38.33
Hydrogen Bond Donor Count
1
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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ChEMBL ID
CHEMBL4742675
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: PT00915, Peroxisome proliferator-activated receptor gamma
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000197 MG-63 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS
Protein ID: PT02513, Steroid hormone receptor ERR1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000197 MG-63 Homo sapiens (Human)  1
1
EC50 > 10000 nM
   TI
   LI
   LO
   TS