General Information of the Compound
| Compound ID |
CP0580096
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| Compound Name |
[1-[2,4-dichloro-3-(trifluoromethyl)phenyl]triazol-4-yl]methanamine
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| Structure |
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| Formula |
C10H7Cl2F3N4
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| Molecular Weight |
311.094
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| Canonical SMILES |
NCc1cn(nn1)-c1ccc(Cl)c(c1Cl)C(F)(F)F
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| InChI |
InChI=1S/C10H7Cl2F3N4/c11-6-1-2-7(9(12)8(6)10(13,14)15)19-4-5(3-16)17-18-19/h1-2,4H,3,16H2
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| InChIKey |
LKILBOKPOXVKLK-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