General Information of the Compound
| Compound ID |
CP0896955
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| Compound Name |
3-methyl 5-(2,4,6-trichlorobenzyl)2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C23H19Cl3N2O6
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| Molecular Weight |
525.772
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| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C(=O)OCc2c(Cl)cc(Cl)cc2Cl)C1c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C23H19Cl3N2O6/c1-11-19(22(29)33-3)21(13-5-4-6-15(7-13)28(31)32)20(12(2)27-11)23(30)34-10-16-17(25)8-14(24)9-18(16)26/h4-9,21,27H,10H2,1-3H3
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| InChIKey |
KZTUCFYJHTUTCB-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