General Information of the Compound
| Compound ID |
CP0084566
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| Compound Name |
1-acetyl-N-hydroxy-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C21H21F3N2O7S
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| Molecular Weight |
502.467
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| Canonical SMILES |
CC(=O)N1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C21H21F3N2O7S/c1-14(27)26-12-10-20(11-13-26,19(28)25-29)34(30,31)18-8-6-16(7-9-18)32-15-2-4-17(5-3-15)33-21(22,23)24/h2-9,29H,10-13H2,1H3,(H,25,28)
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| InChIKey |
QDGVTWBFTFHWOG-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