General Information of the Compound
| Compound ID |
CP0413192
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| Compound Name |
3-Biphenyl-4-yl-4-(2-fluorophenyl)-5-(methylsulfonyl)-4H-1,2,4-triazole
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| Structure |
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| Formula |
C21H16FN3O2S
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| Molecular Weight |
393.443
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| Canonical SMILES |
CS(=O)(=O)c1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1ccccc1F
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| InChI |
InChI=1S/C21H16FN3O2S/c1-28(26,27)21-24-23-20(25(21)19-10-6-5-9-18(19)22)17-13-11-16(12-14-17)15-7-3-2-4-8-15/h2-14H,1H3
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| InChIKey |
PQNRFXDSHVSCPP-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