General Information of the Compound
| Compound ID |
CP0387751
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| Compound Name |
5-O-ethyl 3-O-methyl 2-methyl-6-(2-methylpropanoylamino)-4-(3-nitrophenyl)-4H-pyran-3,5-dicarboxylate
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| Structure |
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| Formula |
C21H24N2O8
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| Molecular Weight |
432.429
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| Canonical SMILES |
CCOC(=O)C1=C(NC(=O)C(C)C)OC(C)=C(C1c1cccc(c1)[N+]([O-])=O)C(=O)OC
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| InChI |
InChI=1S/C21H24N2O8/c1-6-30-21(26)17-16(13-8-7-9-14(10-13)23(27)28)15(20(25)29-5)12(4)31-19(17)22-18(24)11(2)3/h7-11,16H,6H2,1-5H3,(H,22,24)
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| InChIKey |
ZTHKKXRUWPXBOP-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