General Information of the Compound
Compound ID
CP0899533
Compound Name
1-cyclopentyl-3-(3,3-diphenylpropyl)pyrimidine-2,4,6(1H,3H,5H)-trione
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Structure
Formula
C24H26N2O3
Molecular Weight
390.483
Canonical SMILES
O=C1CC(=O)N(C2CCCC2)C(=O)N1CCC(c1ccccc1)c1ccccc1
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InChI
InChI=1S/C24H26N2O3/c27-22-17-23(28)26(20-13-7-8-14-20)24(29)25(22)16-15-21(18-9-3-1-4-10-18)19-11-5-2-6-12-19/h1-6,9-12,20-21H,7-8,13-17H2
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InChIKey
BABHPHWGFSVHQU-UHFFFAOYSA-N
Physicochemical Property
logP
4.3321
Rotatable Bonds
6
Heavy Atom Count
29
Polar Areas
57.69
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
29

"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: 71682028
ChEMBL ID
CHEMBL2380911
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 = 4700 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 = 4100 nM
   TI
   LI
   LO
   TS