General Information of the Compound
Compound ID
CP0848479
Compound Name
1-((1R,2S,4S)-Bicyclo[2.2.1]heptan-2-yl)-3-(4-chlorophenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
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Structure
Formula
C19H21ClN2O3
Molecular Weight
360.841
Canonical SMILES
O=C1CC(=O)N([C@H]2C[C@H]3CC[C@@H]2C3)C(=O)N1CCc1ccc(Cl)cc1
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InChI
InChI=1S/C19H21ClN2O3/c20-15-5-2-12(3-6-15)7-8-21-17(23)11-18(24)22(19(21)25)16-10-13-1-4-14(16)9-13/h2-3,5-6,13-14,16H,1,4,7-11H2/t13-,14+,16-/m0/s1
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InChIKey
AMRPDRKKGBUQSS-LZWOXQAQSA-N
Physicochemical Property
logP
3.252
Rotatable Bonds
4
Heavy Atom Count
25
Polar Areas
57.69
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
3
Complexity
25

"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: 71681066
ChEMBL ID
CHEMBL2381042
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 = 100000 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 = 2100 nM
   TI
   LI
   LO
   TS