General Information of the Compound
| Compound ID |
CP0550018
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| Compound Name |
3,5-difluoro-N-hydroxy-4-[[4-methyl-5-[4-(piperidin-1-ylmethyl)phenyl]-1,2,4-triazol-3-yl]sulfanyl]benzamide
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| Structure |
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| Formula |
C22H23F2N5O2S
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| Molecular Weight |
459.522
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| Canonical SMILES |
Cn1c(Sc2c(F)cc(cc2F)C(=O)NO)nnc1-c1ccc(CN2CCCCC2)cc1
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| InChI |
InChI=1S/C22H23F2N5O2S/c1-28-20(15-7-5-14(6-8-15)13-29-9-3-2-4-10-29)25-26-22(28)32-19-17(23)11-16(12-18(19)24)21(30)27-31/h5-8,11-12,31H,2-4,9-10,13H2,1H3,(H,27,30)
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| InChIKey |
SHNJZAGASSZXSM-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