General Information of the Compound
Compound ID
CP0948372
Compound Name
1-Cyclopentyl-3-(3,5-dichlorophenethyl)pyrimidine-2,4,6-(1H,3H,5H)-trione
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Structure
Formula
C17H18Cl2N2O3
Molecular Weight
369.248
Canonical SMILES
O=C1CC(=O)N(C2CCCC2)C(=O)N1CCc1cc(Cl)cc(Cl)c1
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InChI
InChI=1S/C17H18Cl2N2O3/c18-12-7-11(8-13(19)9-12)5-6-20-15(22)10-16(23)21(17(20)24)14-3-1-2-4-14/h7-9,14H,1-6,10H2
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InChIKey
LEOTXLHTVJACEL-UHFFFAOYSA-N
Physicochemical Property
logP
3.6594
Rotatable Bonds
4
Heavy Atom Count
24
Polar Areas
57.69
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
24

"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: 71681860
ChEMBL ID
CHEMBL2380906
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 = 3300 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 = 1400 nM
   TI
   LI
   LO
   TS