General Information of the Compound
Compound ID
CP0524292
Compound Name
(Z)-5-(4-((3-hydroxypyrrolidin-1-yl)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
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Structure
Formula
C27H25N3O4
Molecular Weight
455.514
Canonical SMILES
OC1CCN(Cc2ccc(\C=C3/NC(=O)N(C3=O)c3ccc(Oc4ccccc4)cc3)cc2)C1
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InChI
InChI=1S/C27H25N3O4/c31-22-14-15-29(18-22)17-20-8-6-19(7-9-20)16-25-26(32)30(27(33)28-25)21-10-12-24(13-11-21)34-23-4-2-1-3-5-23/h1-13,16,22,31H,14-15,17-18H2,(H,28,33)/b25-16-
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InChIKey
JTZCFBVAMKVSBV-XYGWBWBKSA-N
Physicochemical Property
logP
4.1428
Rotatable Bonds
6
Heavy Atom Count
34
Polar Areas
82.11
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: 44440599
ChEMBL ID
CHEMBL392403
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 = 176 nM
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