General Information of the Compound
| Compound ID |
CP0004022
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| Compound Name |
1-(2,6-dichloro-4-trifluoromethylphenyl)-5-hydroxymethyl-4-n-propyl-1H-1,2,3-triazole
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| Structure |
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| Formula |
C13H12Cl2F3N3O
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| Molecular Weight |
354.159
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| Canonical SMILES |
CCCc1nnn(c1CO)-c1c(Cl)cc(cc1Cl)C(F)(F)F
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| InChI |
InChI=1S/C13H12Cl2F3N3O/c1-2-3-10-11(6-22)21(20-19-10)12-8(14)4-7(5-9(12)15)13(16,17)18/h4-5,22H,2-3,6H2,1H3
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| InChIKey |
RACLCHHASISYPU-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