General Information of the Compound
| Compound ID |
CP0845480
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| Compound Name |
3-(4-(4-methoxyphenyl)butyl)5-methyl 2,6-dimethyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C27H30N2O7
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| Molecular Weight |
494.544
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| Canonical SMILES |
COC(=O)C1=C(C)NC(C)=C(C(=O)OCCCCc2ccc(OC)cc2)C1c1cccc([N+](=O)[O-])c1
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| InChI |
InChI=1S/C27H30N2O7/c1-17-23(26(30)35-4)25(20-9-7-10-21(16-20)29(32)33)24(18(2)28-17)27(31)36-15-6-5-8-19-11-13-22(34-3)14-12-19/h7,9-14,16,25,28H,5-6,8,15H2,1-4H3
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| InChIKey |
WIRHBSQCWOVAMI-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