General Information of the Compound
Compound ID
CP0536145
Compound Name
N-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-methyl-4-phenylbenzamide
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Structure
Formula
C27H32N2O3
Molecular Weight
432.564
Canonical SMILES
CCN(CC)CCOc1ccc(cc1OC)N(C)C(=O)c1ccc(cc1)-c1ccccc1
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InChI
InChI=1S/C27H32N2O3/c1-5-29(6-2)18-19-32-25-17-16-24(20-26(25)31-4)28(3)27(30)23-14-12-22(13-15-23)21-10-8-7-9-11-21/h7-17,20H,5-6,18-19H2,1-4H3
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InChIKey
INJFRMGWYTUQIH-UHFFFAOYSA-N
Physicochemical Property
logP
5.3594
Rotatable Bonds
10
Heavy Atom Count
32
Polar Areas
42.01
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
32

"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: 9954518
SID: 14930080
ChEMBL ID
CHEMBL212890
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 = 19.95 nM
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