General Information of the Compound
Compound ID
CP0494762
Compound Name
N-[4-[2-(diethylamino)ethoxy]phenyl]-4-(4-methoxyphenyl)-N-methylbenzamide
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Structure
Formula
C27H32N2O3
Molecular Weight
432.564
Canonical SMILES
CCN(CC)CCOc1ccc(cc1)N(C)C(=O)c1ccc(cc1)-c1ccc(OC)cc1
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InChI
InChI=1S/C27H32N2O3/c1-5-29(6-2)19-20-32-26-17-13-24(14-18-26)28(3)27(30)23-9-7-21(8-10-23)22-11-15-25(31-4)16-12-22/h7-18H,5-6,19-20H2,1-4H3
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InChIKey
SAZZXQAOKKUXIE-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: 122184565
ChEMBL ID
CHEMBL3600819
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
CL000076 CHO/Galpha16 Cricetulus griseus (Chinese hamster)  1
1
IC50 = 15 nM
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