General Information of the Compound
Compound ID
CP0497403
Compound Name
N-[2-(diethylamino)ethyl]-2-methoxy-N-methyl-4-[(4-phenoxyphenyl)carbamoylamino]benzamide
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Structure
Formula
C28H34N4O4
Molecular Weight
490.604
Canonical SMILES
CCN(CC)CCN(C)C(=O)c1ccc(NC(=O)Nc2ccc(Oc3ccccc3)cc2)cc1OC
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InChI
InChI=1S/C28H34N4O4/c1-5-32(6-2)19-18-31(3)27(33)25-17-14-22(20-26(25)35-4)30-28(34)29-21-12-15-24(16-13-21)36-23-10-8-7-9-11-23/h7-17,20H,5-6,18-19H2,1-4H3,(H2,29,30,34)
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InChIKey
UWJJTDPWLJCJMS-UHFFFAOYSA-N
Physicochemical Property
logP
5.5453
Rotatable Bonds
11
Heavy Atom Count
36
Polar Areas
83.14
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
Complexity
36

"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: 44395000
ChEMBL ID
CHEMBL364178
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 > 100000 nM
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   LI
   LO
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