General Information of the Compound
Compound ID
CP0421212
Compound Name
N-[4-[2-[benzyl(methyl)amino]ethoxy]-3-methoxyphenyl]-4-phenylbenzamide
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Structure
Formula
C30H30N2O3
Molecular Weight
466.581
Canonical SMILES
COc1cc(NC(=O)c2ccc(cc2)-c2ccccc2)ccc1OCCN(C)Cc1ccccc1
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InChI
InChI=1S/C30H30N2O3/c1-32(22-23-9-5-3-6-10-23)19-20-35-28-18-17-27(21-29(28)34-2)31-30(33)26-15-13-25(14-16-26)24-11-7-4-8-12-24/h3-18,21H,19-20,22H2,1-2H3,(H,31,33)
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InChIKey
PABKXBWIZMLLJW-UHFFFAOYSA-N
Physicochemical Property
logP
6.1253
Rotatable Bonds
10
Heavy Atom Count
35
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
35

"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: 44416502
ChEMBL ID
CHEMBL438966
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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