General Information of the Compound
| Compound ID |
CP0490028
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| Compound Name |
3-ethyl-4-(2-methyl-3-nitrophenyl)-5-(4-phenylphenyl)-1,2,4-triazole
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| Structure |
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| Formula |
C23H20N4O2
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| Molecular Weight |
384.439
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| Canonical SMILES |
CCc1nnc(-c2ccc(cc2)-c2ccccc2)n1-c1cccc(c1C)[N+]([O-])=O
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| InChI |
InChI=1S/C23H20N4O2/c1-3-22-24-25-23(26(22)20-10-7-11-21(16(20)2)27(28)29)19-14-12-18(13-15-19)17-8-5-4-6-9-17/h4-15H,3H2,1-2H3
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| InChIKey |
NMHFNABMCDUOFJ-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