General Information of the Compound
Compound ID
CP0524449
Compound Name
N-[2-(diethylamino)ethyl]-4-[(3,5-dimethoxyphenyl)carbamoylamino]-2-methoxybenzamide
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Structure
Formula
C23H32N4O5
Molecular Weight
444.532
Canonical SMILES
CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2cc(OC)cc(OC)c2)cc1OC
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InChI
InChI=1S/C23H32N4O5/c1-6-27(7-2)11-10-24-22(28)20-9-8-16(14-21(20)32-5)25-23(29)26-17-12-18(30-3)15-19(13-17)31-4/h8-9,12-15H,6-7,10-11H2,1-5H3,(H,24,28)(H2,25,26,29)
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InChIKey
GQBVZTFUPPLUON-UHFFFAOYSA-N
Physicochemical Property
logP
3.428
Rotatable Bonds
11
Heavy Atom Count
32
Polar Areas
101.16
Hydrogen Bond Donor Count
3
Hydrogen Bond Acceptor Count
6
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: 44394987
ChEMBL ID
CHEMBL184534
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
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 18000 nM
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