General Information of the Compound
| Compound ID |
CP0952522
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| Compound Name |
rac-1-Methyl5-isopropyl4-methyl-6-(3-nitrophenyl)-2-thioxo-2,3-dihydropyrimidine-1,5(6H)-dicarboxylate
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| Structure |
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| Formula |
C17H19N3O6S
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| Molecular Weight |
393.421
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| Canonical SMILES |
COC(=O)N1C(=S)NC(C)=C(C(=O)OC(C)C)C1c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C17H19N3O6S/c1-9(2)26-15(21)13-10(3)18-16(27)19(17(22)25-4)14(13)11-6-5-7-12(8-11)20(23)24/h5-9,14H,1-4H3,(H,18,27)
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| InChIKey |
GGASCTFNVPPRQG-UHFFFAOYSA-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