General Information of the Compound
Compound ID
CP0857455
Compound Name
1-(2-([1,1'-Biphenyl]-4-yl)ethyl)-3-cyclopentylpyrimidine-2,4,6(1H,3H,5H)-trione
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Structure
Formula
C23H24N2O3
Molecular Weight
376.456
Canonical SMILES
O=C1CC(=O)N(C2CCCC2)C(=O)N1CCc1ccc(-c2ccccc2)cc1
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InChI
InChI=1S/C23H24N2O3/c26-21-16-22(27)25(20-8-4-5-9-20)23(28)24(21)15-14-17-10-12-19(13-11-17)18-6-2-1-3-7-18/h1-3,6-7,10-13,20H,4-5,8-9,14-16H2
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InChIKey
UYXCBAGDHXGDBK-UHFFFAOYSA-N
Physicochemical Property
logP
4.0196
Rotatable Bonds
5
Heavy Atom Count
28
Polar Areas
57.69
Hydrogen Bond Donor Count
0
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: 71682029
ChEMBL ID
CHEMBL2380912
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: PT06040, Voltage-dependent L-type calcium channel subunit alpha-1C
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 5400 nM
   TI
   LI
   LO
   TS
Protein ID: PT06039, Voltage-dependent L-type calcium channel subunit alpha-1D
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 4400 nM
   TI
   LI
   LO
   TS