General Information of the Compound
Compound ID
CP0533056
Compound Name
(Z)-5-(4-((benzylamino)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
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Structure
Formula
C30H25N3O3
Molecular Weight
475.548
Canonical SMILES
O=C1N\C(=C/c2ccc(CNCc3ccccc3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C30H25N3O3/c34-29-28(19-22-11-13-24(14-12-22)21-31-20-23-7-3-1-4-8-23)32-30(35)33(29)25-15-17-27(18-16-25)36-26-9-5-2-6-10-26/h1-19,31H,20-21H2,(H,32,35)/b28-19-
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InChIKey
KJHXABIIBLNPFV-USHMODERSA-N
Physicochemical Property
logP
5.866
Rotatable Bonds
8
Heavy Atom Count
36
Polar Areas
70.67
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
4
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: 15983732
SID: 24262747
ChEMBL ID
CHEMBL246741
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