General Information of the Compound
| Compound ID |
CP0030978
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| Compound Name |
1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazole
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| Structure |
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| Formula |
C9H4Cl2F3N3
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| Molecular Weight |
282.052
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| Canonical SMILES |
FC(F)(F)c1c(Cl)ccc(c1Cl)-n1ccnn1
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| InChI |
InChI=1S/C9H4Cl2F3N3/c10-5-1-2-6(17-4-3-15-16-17)8(11)7(5)9(12,13)14/h1-4H
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| InChIKey |
XVFXHCLMGYJAQI-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
Protein ID: PT05574, Palmitoleoyl-protein carboxylesterase NOTUM