General Information of the Compound
| Compound ID |
CP0571147
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| Compound Name |
3-O-ethyl 5-O-[(3-nitrophenyl)methyl] 2-methyl-6-phenyl-4-(2-phenylethynyl)-1,4-dihydropyridine-3,5-dicarboxylate
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| Structure |
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| Formula |
C31H26N2O6
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| Molecular Weight |
522.557
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| Canonical SMILES |
CCOC(=O)C1=C(C)NC(=C(C1C#Cc1ccccc1)C(=O)OCc1cccc(c1)[N+]([O-])=O)c1ccccc1
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| InChI |
InChI=1S/C31H26N2O6/c1-3-38-30(34)27-21(2)32-29(24-14-8-5-9-15-24)28(26(27)18-17-22-11-6-4-7-12-22)31(35)39-20-23-13-10-16-25(19-23)33(36)37/h4-16,19,26,32H,3,20H2,1-2H3
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| InChIKey |
WICWQHSRWZIPNB-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