General Information of the Compound
Compound ID
CP0551210
Compound Name
N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-ethyl-4-phenylbenzamide
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Structure
Formula
C28H34N2O3
Molecular Weight
446.591
Canonical SMILES
CCN(CC)CCOc1ccc(cc1OC)N(CC)C(=O)c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C28H34N2O3/c1-5-29(6-2)19-20-33-26-18-17-25(21-27(26)32-4)30(7-3)28(31)24-15-13-23(14-16-24)22-11-9-8-10-12-22/h8-18,21H,5-7,19-20H2,1-4H3
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InChIKey
RFSBLJQVMPYUFZ-UHFFFAOYSA-N
Physicochemical Property
logP
5.7495
Rotatable Bonds
11
Heavy Atom Count
33
Polar Areas
42.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
33

"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: 44416428
ChEMBL ID
CHEMBL215898
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 = 251.19 nM
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