General Information of the Compound
| Compound ID |
CP0540921
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| Compound Name |
4-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-hydroxybenzamide
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| Structure |
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| Formula |
C21H16N4O2S
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| Molecular Weight |
388.452
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| Canonical SMILES |
ONC(=O)c1ccc(Sc2nnc(-c3ccccc3)n2-c2ccccc2)cc1
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| InChI |
InChI=1S/C21H16N4O2S/c26-20(24-27)16-11-13-18(14-12-16)28-21-23-22-19(15-7-3-1-4-8-15)25(21)17-9-5-2-6-10-17/h1-14,27H,(H,24,26)
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| InChIKey |
CDUYFJPDIWPQPP-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