General Information of the Compound
| Compound ID |
CP0397646
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| Compound Name |
3-O-ethyl 5-O-methyl 2-acetamido-6-methyl-4-(3-nitrophenyl)-4H-pyran-3,5-dicarboxylate
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| Structure |
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| Formula |
C19H20N2O8
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| Molecular Weight |
404.375
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| Canonical SMILES |
CCOC(=O)C1=C(NC(C)=O)OC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
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| InChI |
InChI=1S/C19H20N2O8/c1-5-28-19(24)16-15(12-7-6-8-13(9-12)21(25)26)14(18(23)27-4)10(2)29-17(16)20-11(3)22/h6-9,15H,5H2,1-4H3,(H,20,22)
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| InChIKey |
PVYWBPDTCVVEHO-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