General Information of the Compound
Compound ID
CP0461101
Compound Name
5,5-diphenyl-3-(3-piperidin-1-ylpropyl)imidazolidine-2,4-dione
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Structure
Formula
C23H27N3O2
Molecular Weight
377.488
Canonical SMILES
O=C1NC(C(=O)N1CCCN1CCCCC1)(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C23H27N3O2/c27-21-23(19-11-4-1-5-12-19,20-13-6-2-7-14-20)24-22(28)26(21)18-10-17-25-15-8-3-9-16-25/h1-2,4-7,11-14H,3,8-10,15-18H2,(H,24,28)
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InChIKey
ONISVGVNTCDONI-UHFFFAOYSA-N
CAS
53967-10-5
Physicochemical Property
logP
3.358
Rotatable Bonds
6
Heavy Atom Count
28
Polar Areas
52.65
Hydrogen Bond Donor Count
1
Hydrogen Bond Acceptor Count
3
Complexity
28

"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: 3041343
ChEMBL ID
CHEMBL3233067
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: PT01206, Histamine H1 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
Ki = 6165.95 nM
   TI
   LI
   LO
   TS
Protein ID: PT01194, Histamine H3 receptor
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
Ki = 562.34 nM
   TI
   LI
   LO
   TS