General Information of the Compound
Compound ID
CP0733873
Compound Name
1-(3-methoxy-4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
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Structure
Formula
C28H29N3O5
Molecular Weight
487.556
Canonical SMILES
COc1cc(N2CC(=O)N(c3ccc(Oc4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1
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InChI
InChI=1S/C28H29N3O5/c1-34-26-19-22(11-14-25(26)35-18-17-29-15-5-6-16-29)30-20-27(32)31(28(30)33)21-9-12-24(13-10-21)36-23-7-3-2-4-8-23/h2-4,7-14,19H,5-6,15-18,20H2,1H3
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InChIKey
WTVQMTFZYWXSRS-UHFFFAOYSA-N
Physicochemical Property
logP
4.9353
Rotatable Bonds
9
Heavy Atom Count
36
Polar Areas
71.55
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
6
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: 15982955
SID: 24261975
ChEMBL ID
CHEMBL246794
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
Ki = 164 nM
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