General Information of the Compound
Compound ID
CP0530734
Compound Name
N-[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]-4-phenylbenzamide
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Structure
Formula
C24H26N2O3
Molecular Weight
390.483
Canonical SMILES
COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1OCCN(C)C
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InChI
InChI=1S/C24H26N2O3/c1-26(2)15-16-29-22-14-13-21(17-23(22)28-3)25-24(27)20-11-9-19(10-12-20)18-7-5-4-6-8-18/h4-14,17H,15-16H2,1-3H3,(H,25,27)
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InChIKey
WWTDJHYVGCXGPN-UHFFFAOYSA-N
Physicochemical Property
logP
4.5549
Rotatable Bonds
8
Heavy Atom Count
29
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
29

"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: 44416606
ChEMBL ID
CHEMBL215493
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: PT01027, Melanin-concentrating hormone receptor 1
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 50.12 nM
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