General Information of the Compound
Compound ID
CP0464775
Compound Name
(Z)-5-(4-((2-(dimethylamino)ethylamino)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
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Structure
Formula
C27H28N4O3
Molecular Weight
456.546
Canonical SMILES
CN(C)CCNCc1ccc(\C=C2/NC(=O)N(C2=O)c2ccc(Oc3ccccc3)cc2)cc1
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InChI
InChI=1S/C27H28N4O3/c1-30(2)17-16-28-19-21-10-8-20(9-11-21)18-25-26(32)31(27(33)29-25)22-12-14-24(15-13-22)34-23-6-4-3-5-7-23/h3-15,18,28H,16-17,19H2,1-2H3,(H,29,33)/b25-18-
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InChIKey
DFQQPSBLXHWXIC-BWAHOGKJSA-N
Physicochemical Property
logP
4.2274
Rotatable Bonds
9
Heavy Atom Count
34
Polar Areas
73.91
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
5
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: 15983864
SID: 24262880
ChEMBL ID
CHEMBL248266
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 = 707 nM
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   LI
   LO
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