General Information of the Compound
Compound ID
CP0434268
Compound Name
(Z)-5-(4-((4-phenylpiperazin-1-yl)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
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Structure
Formula
C33H30N4O3
Molecular Weight
530.628
Canonical SMILES
O=C1N\C(=C/c2ccc(CN3CCN(CC3)c3ccccc3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C33H30N4O3/c38-32-31(34-33(39)37(32)28-15-17-30(18-16-28)40-29-9-5-2-6-10-29)23-25-11-13-26(14-12-25)24-35-19-21-36(22-20-35)27-7-3-1-4-8-27/h1-18,23H,19-22,24H2,(H,34,39)/b31-23-
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InChIKey
FYZDOSGFCQEGGC-SXBRIOAWSA-N
Physicochemical Property
logP
5.8984
Rotatable Bonds
7
Heavy Atom Count
40
Polar Areas
65.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
40

"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: 15983866
SID: 24262882
ChEMBL ID
CHEMBL248462
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