General Information of the Compound
| Compound ID |
CP0474400
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| Compound Name |
3-Biphenyl-4-yl-4-(2-ethylphenyl)-5-methyl-4H-1,2,4-triazole
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| Structure |
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| Formula |
C23H21N3
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| Molecular Weight |
339.442
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| Canonical SMILES |
CCc1ccccc1-n1c(C)nnc1-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C23H21N3/c1-3-18-9-7-8-12-22(18)26-17(2)24-25-23(26)21-15-13-20(14-16-21)19-10-5-4-6-11-19/h4-16H,3H2,1-2H3
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| InChIKey |
BUEWEWWZCTWFQJ-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