General Information of the Compound
| Compound ID |
CP0559534
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| Compound Name |
4-[[5-(1,5-dimethylpyrazol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-2-fluoro-N-hydroxybenzamide
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| Structure |
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| Formula |
C15H15FN6O2S
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| Molecular Weight |
362.39
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| Canonical SMILES |
Cc1cc(nn1C)-c1nnc(Sc2ccc(C(=O)NO)c(F)c2)n1C
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| InChI |
InChI=1S/C15H15FN6O2S/c1-8-6-12(19-22(8)3)13-17-18-15(21(13)2)25-9-4-5-10(11(16)7-9)14(23)20-24/h4-7,24H,1-3H3,(H,20,23)
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| InChIKey |
YHZBNKUTVVJACO-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