General Information of the Compound
Compound ID
CP0863212
Compound Name
1-(1-(4-Chlorophenyl)propan-2-yl)-3-((+/-)-endo-norbornyl)pyrimidine-2,4,6-(1H,3H,5H)-trione
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Structure
Formula
C20H23ClN2O3
Molecular Weight
374.868
Canonical SMILES
CC(Cc1ccc(Cl)cc1)N1C(=O)CC(=O)N(C2CC3CCC2C3)C1=O
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InChI
InChI=1S/C20H23ClN2O3/c1-12(8-13-3-6-16(21)7-4-13)22-18(24)11-19(25)23(20(22)26)17-10-14-2-5-15(17)9-14/h3-4,6-7,12,14-15,17H,2,5,8-11H2,1H3
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InChIKey
XRMFYWPUUCWBAI-UHFFFAOYSA-N
Physicochemical Property
logP
3.6405
Rotatable Bonds
4
Heavy Atom Count
26
Polar Areas
57.69
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
26

"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: 73353400
ChEMBL ID
CHEMBL2380922
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 = 4100 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 = 3600 nM
   TI
   LI
   LO
   TS