General Information of the Compound
Compound ID
CP0918467
Compound Name
1-biphenyl-4-yl-3-[3-methoxy-4-(2-pyrrolidin-1-yl-ethoxy)-phenyl]-imidazolidine-2,4-dione
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Structure
Formula
C28H29N3O4
Molecular Weight
471.557
Canonical SMILES
COc1cc(N2C(=O)CN(c3ccc(-c4ccccc4)cc3)C2=O)ccc1OCCN1CCCC1
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InChI
InChI=1S/C28H29N3O4/c1-34-26-19-24(13-14-25(26)35-18-17-29-15-5-6-16-29)31-27(32)20-30(28(31)33)23-11-9-22(10-12-23)21-7-3-2-4-8-21/h2-4,7-14,19H,5-6,15-18,20H2,1H3
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InChIKey
SUHIGGGFDFZBGA-UHFFFAOYSA-N
Physicochemical Property
logP
4.81
Rotatable Bonds
8
Heavy Atom Count
35
Polar Areas
62.32
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
5
Complexity
35

"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: 44440590
ChEMBL ID
CHEMBL429293
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