General Information of the Compound
| Compound ID |
CP0477947
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| Compound Name |
N-[2-[4-(4-methoxyphenyl)triazol-1-yl]phenyl]-4-(trifluoromethyl)benzamide
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| Structure |
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| Formula |
C23H17F3N4O2
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| Molecular Weight |
438.409
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| Canonical SMILES |
COc1ccc(cc1)-c1cn(nn1)-c1ccccc1NC(=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C23H17F3N4O2/c1-32-18-12-8-15(9-13-18)20-14-30(29-28-20)21-5-3-2-4-19(21)27-22(31)16-6-10-17(11-7-16)23(24,25)26/h2-14H,1H3,(H,27,31)
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| InChIKey |
ZCAIAGXSXHELJY-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