General Information of the Compound
Compound ID
CP0536143
Compound Name
N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4-phenylbenzamide
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Structure
Formula
C26H30N2O3
Molecular Weight
418.537
Canonical SMILES
CCN(CC)CCOc1ccc(NC(=O)c2ccc(cc2)-c2ccccc2)cc1OC
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InChI
InChI=1S/C26H30N2O3/c1-4-28(5-2)17-18-31-24-16-15-23(19-25(24)30-3)27-26(29)22-13-11-21(12-14-22)20-9-7-6-8-10-20/h6-16,19H,4-5,17-18H2,1-3H3,(H,27,29)
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InChIKey
RVUGDFSDYNAWGY-UHFFFAOYSA-N
Physicochemical Property
logP
5.3351
Rotatable Bonds
10
Heavy Atom Count
31
Polar Areas
50.8
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 16110074
ChEMBL ID
CHEMBL214968
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 = 31.62 nM
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