General Information of the Compound
| Compound ID |
CP0861282
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| Compound Name |
2,6-Dimethyl-4-(3-nitro-phenyl)-1,4-dihydro-pyridine-3,5-dicarboxylic acid 3-(3,5-dimethyl-adamantan-1-ylmethyl) ester 5-methyl ester
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| Structure |
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| Formula |
C29H36N2O6
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| Molecular Weight |
508.615
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| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C(=O)OCC23CC4CC(C)(CC(C)(C4)C2)C3)C1c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C29H36N2O6/c1-17-22(25(32)36-5)24(20-7-6-8-21(9-20)31(34)35)23(18(2)30-17)26(33)37-16-29-12-19-10-27(3,14-29)13-28(4,11-19)15-29/h6-9,19,24,30H,10-16H2,1-5H3
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| InChIKey |
YPFDGVBHVPSTMI-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