General Information of the Compound
Compound ID
CP0452730
Compound Name
(Z)-5-(4-((dimethylamino)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
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Structure
Formula
C25H23N3O3
Molecular Weight
413.477
Canonical SMILES
CN(C)Cc1ccc(\C=C2/NC(=O)N(C2=O)c2ccc(Oc3ccccc3)cc2)cc1
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InChI
InChI=1S/C25H23N3O3/c1-27(2)17-19-10-8-18(9-11-19)16-23-24(29)28(25(30)26-23)20-12-14-22(15-13-20)31-21-6-4-3-5-7-21/h3-16H,17H2,1-2H3,(H,26,30)/b23-16-
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InChIKey
GSYASMWTMWAJJZ-KQWNVCNZSA-N
Physicochemical Property
logP
4.6378
Rotatable Bonds
6
Heavy Atom Count
31
Polar Areas
61.88
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
4
Complexity
31

"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: 15983733
SID: 24262748
ChEMBL ID
CHEMBL247566
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 = 341 nM
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