General Information of the Compound
| Compound ID |
CP0574408
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| Compound Name |
1-[2,4-dichloro-3-(trifluoromethyl)phenyl]-4-(methoxymethyl)triazole
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| Structure |
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| Formula |
C11H8Cl2F3N3O
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| Molecular Weight |
326.105
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| Canonical SMILES |
COCc1cn(nn1)-c1ccc(Cl)c(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C11H8Cl2F3N3O/c1-20-5-6-4-19(18-17-6)8-3-2-7(12)9(10(8)13)11(14,15)16/h2-4H,5H2,1H3
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| InChIKey |
PCIMBYJUMICAOC-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