General Information of the Compound
Compound ID
CP0490437
Compound Name
(Z)-5-(4-((4-benzylpiperazin-1-yl)methyl)benzylidene)-3-(4-phenoxyphenyl)imidazolidine-2,4-dione
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Structure
Formula
C34H32N4O3
Molecular Weight
544.655
Canonical SMILES
O=C1N\C(=C/c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)C(=O)N1c1ccc(Oc2ccccc2)cc1
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InChI
InChI=1S/C34H32N4O3/c39-33-32(35-34(40)38(33)29-15-17-31(18-16-29)41-30-9-5-2-6-10-30)23-26-11-13-28(14-12-26)25-37-21-19-36(20-22-37)24-27-7-3-1-4-8-27/h1-18,23H,19-22,24-25H2,(H,35,40)/b32-23-
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InChIKey
ZVJUIIFILZVRAC-SJIPCVTESA-N
Physicochemical Property
logP
5.894
Rotatable Bonds
8
Heavy Atom Count
41
Polar Areas
65.12
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
5
Complexity
41

"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: 15981934
SID: 24260937
ChEMBL ID
CHEMBL392214
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