General Information of the Compound
| Compound ID |
CP0858666
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| Compound Name |
3-ethyl 5-(2-(methacryloyloxy)ethyl)2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C23H26N2O8
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| Molecular Weight |
458.467
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| Canonical SMILES |
C=C(C)C(=O)OCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C23H26N2O8/c1-6-31-22(27)18-14(4)24-15(5)19(23(28)33-11-10-32-21(26)13(2)3)20(18)16-8-7-9-17(12-16)25(29)30/h7-9,12,20,24H,2,6,10-11H2,1,3-5H3
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| InChIKey |
MBEWFXOLDLVLJD-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