General Information of the Compound
| Compound ID |
CP0905847
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| Compound Name |
diethyl 2-butyl-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C22H28N2O6
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| Molecular Weight |
416.474
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| Canonical SMILES |
CCCCC1=C(C(=O)OCC)C(c2cccc([N+](=O)[O-])c2)C(C(=O)OCC)=C(C)N1
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| InChI |
InChI=1S/C22H28N2O6/c1-5-8-12-17-20(22(26)30-7-3)19(15-10-9-11-16(13-15)24(27)28)18(14(4)23-17)21(25)29-6-2/h9-11,13,19,23H,5-8,12H2,1-4H3
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| InChIKey |
XVKVIOCQZGFCJP-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