General Information of the Compound
Compound ID
CP0524293
Compound Name
(Z)-5-(4-((4-acetylpiperazin-1-yl)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
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Structure
Formula
C29H28N4O4
Molecular Weight
496.567
Canonical SMILES
CC(=O)N1CCN(Cc2ccc(\C=C3/NC(=O)N(C3=O)c3ccc(Oc4ccccc4)cc3)cc2)CC1
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InChI
InChI=1S/C29H28N4O4/c1-21(34)32-17-15-31(16-18-32)20-23-9-7-22(8-10-23)19-27-28(35)33(29(36)30-27)24-11-13-26(14-12-24)37-25-5-3-2-4-6-25/h2-14,19H,15-18,20H2,1H3,(H,30,36)/b27-19-
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InChIKey
BEMBVNQBJNMZQM-DIBXZPPDSA-N
Physicochemical Property
logP
4.2403
Rotatable Bonds
6
Heavy Atom Count
37
Polar Areas
82.19
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
37

"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: 15983865
SID: 24262881
ChEMBL ID
CHEMBL248267
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 = 2060 nM
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   LI
   LO
   TS