General Information of the Compound
Compound ID
CP0490434
Compound Name
(Z)-5-(4-((cyclopentylamino)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
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Structure
Formula
C28H27N3O3
Molecular Weight
453.542
Canonical SMILES
O=C1N\C(=C/c2ccc(CNC3CCCC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C28H27N3O3/c32-27-26(18-20-10-12-21(13-11-20)19-29-22-6-4-5-7-22)30-28(33)31(27)23-14-16-25(17-15-23)34-24-8-2-1-3-9-24/h1-3,8-18,22,29H,4-7,19H2,(H,30,33)/b26-18-
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InChIKey
ZCHRZUMAMPGDFF-ITYLOYPMSA-N
Physicochemical Property
logP
5.6084
Rotatable Bonds
7
Heavy Atom Count
34
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
Complexity
34

"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: 15983731
SID: 24262746
ChEMBL ID
CHEMBL397064
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 > 5000 nM
   TI
   LI
   LO
   TS