General Information of the Compound
| Compound ID |
CP0860951
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| Compound Name |
diethyl 2-(2-cyanovinyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C21H21N3O6
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| Molecular Weight |
411.414
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(/C=C/C#N)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C21H21N3O6/c1-4-29-20(25)17-13(3)23-16(10-7-11-22)19(21(26)30-5-2)18(17)14-8-6-9-15(12-14)24(27)28/h6-10,12,18,23H,4-5H2,1-3H3/b10-7+
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| InChIKey |
XJRORDHAVMQOCP-JXMROGBWSA-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