General Information of the Compound
| Compound ID |
CP0913798
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| Compound Name |
diethyl 2-methyl-4-(3-nitrophenyl)-6-((4-phenylpiperazin-1-yl)methyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C29H34N4O6
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| Molecular Weight |
534.613
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(CN2CCN(c3ccccc3)CC2)=C(C(=O)OCC)C1c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C29H34N4O6/c1-4-38-28(34)25-20(3)30-24(19-31-14-16-32(17-15-31)22-11-7-6-8-12-22)27(29(35)39-5-2)26(25)21-10-9-13-23(18-21)33(36)37/h6-13,18,26,30H,4-5,14-17,19H2,1-3H3
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| InChIKey |
NBSLNZAATOXWOZ-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