General Information of the Compound
| Compound ID |
CP0849994
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| Compound Name |
3-methyl 5-(2,2,2-trifluoroethyl)2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C18H17F3N2O6
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| Molecular Weight |
414.336
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| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC(F)(F)F)C1c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C18H17F3N2O6/c1-9-13(16(24)28-3)15(11-5-4-6-12(7-11)23(26)27)14(10(2)22-9)17(25)29-8-18(19,20)21/h4-7,15,22H,8H2,1-3H3
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| InChIKey |
INXXHECQFQBZDC-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