General Information of the Compound
| Compound ID |
CP0407423
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| Compound Name |
5-O-methyl 3-O-propan-2-yl 2-acetamido-6-methyl-4-(3-nitrophenyl)-4H-pyran-3,5-dicarboxylate
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| Structure |
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| Formula |
C20H22N2O8
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| Molecular Weight |
418.402
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| Canonical SMILES |
COC(=O)C1=C(C)OC(NC(C)=O)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC(C)C
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| InChI |
InChI=1S/C20H22N2O8/c1-10(2)29-20(25)17-16(13-7-6-8-14(9-13)22(26)27)15(19(24)28-5)11(3)30-18(17)21-12(4)23/h6-10,16H,1-5H3,(H,21,23)
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| InChIKey |
RVZJHCOBQUFIHN-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