General Information of the Compound
| Compound ID |
CP0571330
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| Compound Name |
3-[[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methyl]oxetan-3-ol
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| Structure |
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| Formula |
C13H10Cl2F3N3O2
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| Molecular Weight |
368.142
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| Canonical SMILES |
OC1(Cc2cn(nn2)-c2ccc(Cl)c(c2Cl)C(F)(F)F)COC1
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| InChI |
InChI=1S/C13H10Cl2F3N3O2/c14-8-1-2-9(11(15)10(8)13(16,17)18)21-4-7(19-20-21)3-12(22)5-23-6-12/h1-2,4,22H,3,5-6H2
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| InChIKey |
YIOMDUBWWASMPT-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