General Information of the Compound
| Compound ID |
CP0684753
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| Compound Name |
5-Hydroxy-N-[3,5-bis(trifluoromethyl)phenyl]-2-methyl-2H-1,2,3-triazole-4-carboxamide
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| Structure |
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| Formula |
C12H8F6N4O2
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| Molecular Weight |
354.21
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| Canonical SMILES |
Cn1nc(O)c(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1
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| InChI |
InChI=1S/C12H8F6N4O2/c1-22-20-8(10(24)21-22)9(23)19-7-3-5(11(13,14)15)2-6(4-7)12(16,17)18/h2-4H,1H3,(H,19,23)(H,21,24)
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| InChIKey |
HDPPNVMTCSUPRG-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