General Information of the Compound
| Compound ID |
CP0410037
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| Compound Name |
3-Biphenyl-4-yl-4-(2-fluorophenyl)-5-trifluoromethyl-4H-1,2,4-triazole
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| Structure |
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| Formula |
C21H13F4N3
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| Molecular Weight |
383.348
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| Canonical SMILES |
Fc1ccccc1-n1c(nnc1C(F)(F)F)-c1ccc(cc1)-c1ccccc1
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| InChI |
InChI=1S/C21H13F4N3/c22-17-8-4-5-9-18(17)28-19(26-27-20(28)21(23,24)25)16-12-10-15(11-13-16)14-6-2-1-3-7-14/h1-13H
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| InChIKey |
USTRRNMQOVQDNE-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