General Information of the Compound
| Compound ID |
CP0501754
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| Compound Name |
3-(Biphenyl-4-yl-methyl)-4-(2-fluorophenyl)-5-methyl-4H-1,2,4-triazole
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| Structure |
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| Formula |
C22H18FN3
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| Molecular Weight |
343.405
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| Canonical SMILES |
Cc1nnc(Cc2ccc(cc2)-c2ccccc2)n1-c1ccccc1F
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| InChI |
InChI=1S/C22H18FN3/c1-16-24-25-22(26(16)21-10-6-5-9-20(21)23)15-17-11-13-19(14-12-17)18-7-3-2-4-8-18/h2-14H,15H2,1H3
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| InChIKey |
SUEUOXMHIQXMBH-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