General Information of the Compound
| Compound ID |
CP0374255
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| Compound Name |
diethyl 2,6-dimethyl-4-(3-nitrophenyl)-4H-pyran-3,5-dicarboxylate
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| Structure |
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| Formula |
C19H21NO7
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| Molecular Weight |
375.377
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| Canonical SMILES |
CCOC(=O)C1=C(C)OC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OCC
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| InChI |
InChI=1S/C19H21NO7/c1-5-25-18(21)15-11(3)27-12(4)16(19(22)26-6-2)17(15)13-8-7-9-14(10-13)20(23)24/h7-10,17H,5-6H2,1-4H3
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| InChIKey |
BUFGEPZFPXRKLU-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