General Information of the Compound
| Compound ID |
CP0546845
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| Compound Name |
1-[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]propan-2-ol
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| Structure |
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| Formula |
C12H10Cl2F3N3O
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| Molecular Weight |
340.132
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| Canonical SMILES |
CC(O)Cc1cn(nn1)-c1ccc(Cl)c(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C12H10Cl2F3N3O/c1-6(21)4-7-5-20(19-18-7)9-3-2-8(13)10(11(9)14)12(15,16)17/h2-3,5-6,21H,4H2,1H3
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| InChIKey |
CLAHNRHMWABQOU-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