General Information of the Compound
Compound ID |
CP0901008
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Compound Name |
3-methyl 5-(2-(2,2,2-trifluoroacetamido)ethyl)2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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Structure |
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Formula |
C20H20F3N3O7
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Molecular Weight |
471.388
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Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCNC(=O)C(F)(F)F)C1c1cccc([N+](=O)[O-])c1
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InChI |
InChI=1S/C20H20F3N3O7/c1-10-14(17(27)32-3)16(12-5-4-6-13(9-12)26(30)31)15(11(2)25-10)18(28)33-8-7-24-19(29)20(21,22)23/h4-6,9,16,25H,7-8H2,1-3H3,(H,24,29)
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InChIKey |
VHQGCYKOTXYZFM-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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