General Information of the Compound
| Compound ID |
CP0859562
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| Compound Name |
3-(4-methoxybenzyl)5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C24H24N2O7
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| Molecular Weight |
452.463
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| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2ccc(OC)cc2)C1c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C24H24N2O7/c1-14-20(23(27)32-4)22(17-6-5-7-18(12-17)26(29)30)21(15(2)25-14)24(28)33-13-16-8-10-19(31-3)11-9-16/h5-12,22,25H,13H2,1-4H3
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| InChIKey |
WGBGXHMGSAULRA-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