General Information of the Compound
| Compound ID |
CP0405906
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| Compound Name |
3-O-methyl 5-O-propan-2-yl 6-methyl-2-methylsulfanyl-4-(3-nitrophenyl)-4H-pyrimidine-3,5-dicarboxylate
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| Structure |
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| Formula |
C18H21N3O6S
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| Molecular Weight |
407.448
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| Canonical SMILES |
COC(=O)[N+]1=C([N-]C(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C)SC
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| InChI |
InChI=1S/C18H21N3O6S/c1-10(2)27-16(22)14-11(3)19-17(28-5)20(18(23)26-4)15(14)12-7-6-8-13(9-12)21(24)25/h6-10,15H,1-5H3
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| InChIKey |
LKMPQVKFYZRLGB-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