General Information of the Compound
Compound ID
CP0498635
Compound Name
N-[3-(5-methoxy-2-phenylmethoxyphenyl)propyl]benzamide
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Structure
Formula
C24H25NO3
Molecular Weight
375.468
Canonical SMILES
COc1ccc(OCc2ccccc2)c(CCCNC(=O)c2ccccc2)c1
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InChI
InChI=1S/C24H25NO3/c1-27-22-14-15-23(28-18-19-9-4-2-5-10-19)21(17-22)13-8-16-25-24(26)20-11-6-3-7-12-20/h2-7,9-12,14-15,17H,8,13,16,18H2,1H3,(H,25,26)
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InChIKey
ADHCOHYCHZGJSV-UHFFFAOYSA-N
Physicochemical Property
logP
4.6368
Rotatable Bonds
9
Heavy Atom Count
28
Polar Areas
47.56
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 46885229
ChEMBL ID
CHEMBL1088826
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: PT02174, Melatonin receptor type 1B
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 2300 nM
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