General Information of the Compound
| Compound ID |
CP0579897
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| Compound Name |
[1-[3,4-bis(trifluoromethyl)phenyl]triazol-4-yl]methanol
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| Structure |
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| Formula |
C11H7F6N3O
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| Molecular Weight |
311.185
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| Canonical SMILES |
OCc1cn(nn1)-c1ccc(c(c1)C(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C11H7F6N3O/c12-10(13,14)8-2-1-7(3-9(8)11(15,16)17)20-4-6(5-21)18-19-20/h1-4,21H,5H2
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| InChIKey |
MFNAZUFZIGODJE-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