General Information of the Compound
| Compound ID |
CP0437902
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| Compound Name |
1-(2-methoxyphenyl)-5-[2-(4-nitrophenyl)sulfanylphenyl]triazole
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| Structure |
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| Formula |
C21H16N4O3S
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| Molecular Weight |
404.451
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| Canonical SMILES |
COc1ccccc1-n1nncc1-c1ccccc1Sc1ccc(cc1)[N+]([O-])=O
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| InChI |
InChI=1S/C21H16N4O3S/c1-28-20-8-4-3-7-18(20)24-19(14-22-23-24)17-6-2-5-9-21(17)29-16-12-10-15(11-13-16)25(26)27/h2-14H,1H3
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| InChIKey |
HIFRCJGGLOGYEK-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