General Information of the Compound
| Compound ID |
CP0392861
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| Compound Name |
5-[3-ethyl-5-(4-phenylphenyl)-1,2,4-triazol-4-yl]-2-oxidoisoquinolin-2-ium
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| Structure |
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| Formula |
C25H20N4O
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| Molecular Weight |
392.462
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| Canonical SMILES |
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc2c[n+]([O-])ccc12
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| InChI |
InChI=1S/C25H20N4O/c1-2-24-26-27-25(20-13-11-19(12-14-20)18-7-4-3-5-8-18)29(24)23-10-6-9-21-17-28(30)16-15-22(21)23/h3-17H,2H2,1H3
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| InChIKey |
PWKHEAJPOLKWNH-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