General Information of the Compound
| Compound ID |
CP0943718
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| Compound Name |
3-(4-(1-methyl-1H-imidazol-5-yl)-1H-1,2,3-triazol-1-yl)-N-(3-nitrophenyl)benzamide
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| Formula |
C19H15N7O3
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| Molecular Weight |
389.375
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| Canonical SMILES |
Cn1cncc1-c1cn(-c2cccc(C(=O)Nc3cccc([N+](=O)[O-])c3)c2)nn1
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| InChI |
InChI=1S/C19H15N7O3/c1-24-12-20-10-18(24)17-11-25(23-22-17)15-6-2-4-13(8-15)19(27)21-14-5-3-7-16(9-14)26(28)29/h2-12H,1H3,(H,21,27)
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| InChIKey |
DIAJHFRGWFEUFX-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