General Information of the Compound
| Compound ID |
CP0426081
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| Compound Name |
3,5-difluoro-4-[[5-(3-fluoropyridin-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-hydroxybenzamide
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| Structure |
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| Formula |
C15H10F3N5O2S
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| Molecular Weight |
381.339
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| Canonical SMILES |
Cn1c(Sc2c(F)cc(cc2F)C(=O)NO)nnc1-c1ncccc1F
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| InChI |
InChI=1S/C15H10F3N5O2S/c1-23-13(11-8(16)3-2-4-19-11)20-21-15(23)26-12-9(17)5-7(6-10(12)18)14(24)22-25/h2-6,25H,1H3,(H,22,24)
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| InChIKey |
ISRCGOUXRYSTNI-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