General Information of the Compound
| Compound ID |
CP0074239
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| Compound Name |
N-hydroxy-1-(2-methoxyethyl)-4-[4-[4-(trifluoromethylsulfanyl)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C22H25F3N2O6S2
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| Molecular Weight |
534.578
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| Canonical SMILES |
COCCN1CCC(CC1)(C(=O)NO)S(=O)(=O)c1ccc(Oc2ccc(SC(F)(F)F)cc2)cc1
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| InChI |
InChI=1S/C22H25F3N2O6S2/c1-32-15-14-27-12-10-21(11-13-27,20(28)26-29)35(30,31)19-8-4-17(5-9-19)33-16-2-6-18(7-3-16)34-22(23,24)25/h2-9,29H,10-15H2,1H3,(H,26,28)
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| InChIKey |
ORSWNUGKUNQTLF-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