General Information of the Compound
| Compound ID |
CP0397151
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| Compound Name |
1-(4-(5-methyl-1-(pyridin-3-yl)-1H-1,2,3-triazol-4-yl)phenyl)propan-1-one
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| Structure |
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| Formula |
C17H16N4O
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| Molecular Weight |
292.342
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| Canonical SMILES |
CCC(=O)c1ccc(cc1)-c1nnn(c1C)-c1cccnc1
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| InChI |
InChI=1S/C17H16N4O/c1-3-16(22)13-6-8-14(9-7-13)17-12(2)21(20-19-17)15-5-4-10-18-11-15/h4-11H,3H2,1-2H3
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| InChIKey |
YEQJQOXBTXBGGJ-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