General Information of the Compound
| Compound ID |
CP0854692
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| Compound Name |
(+)-endo-1-((1S,2R,4R)-Bicyclo[2.2.1]heptan-2-yl)-3-(3-(trifluoromethyl)phenethyl)-pyrimidine-2,4,6(1H,3H,5H)-trione
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| Structure |
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| Formula |
C20H21F3N2O3
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| Molecular Weight |
394.393
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| Canonical SMILES |
O=C1CC(=O)N([C@@H]2C[C@@H]3CC[C@H]2C3)C(=O)N1CCc1cccc(C(F)(F)F)c1
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| InChI |
InChI=1S/C20H21F3N2O3/c21-20(22,23)15-3-1-2-12(9-15)6-7-24-17(26)11-18(27)25(19(24)28)16-10-13-4-5-14(16)8-13/h1-3,9,13-14,16H,4-8,10-11H2/t13-,14+,16-/m1/s1
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| InChIKey |
UYEXFTZFTBKTSS-IJEWVQPXSA-N
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| Physicochemical Property |
"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). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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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 |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT06040, Voltage-dependent L-type calcium channel subunit alpha-1C
Protein ID: PT06039, Voltage-dependent L-type calcium channel subunit alpha-1D