General Information of the Compound
| Compound ID |
CP0069922
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| Compound Name |
1-acetyl-4-[(4-but-2-ynoxyphenyl)sulfonylmethyl]-N-hydroxypiperidine-4-carboxamide
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| Structure |
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| Formula |
C19H24N2O6S
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| Molecular Weight |
408.476
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| Canonical SMILES |
CC#CCOc1ccc(cc1)S(=O)(=O)CC1(CCN(CC1)C(C)=O)C(=O)NO
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| InChI |
InChI=1S/C19H24N2O6S/c1-3-4-13-27-16-5-7-17(8-6-16)28(25,26)14-19(18(23)20-24)9-11-21(12-10-19)15(2)22/h5-8,24H,9-14H2,1-2H3,(H,20,23)
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| InChIKey |
NPWNPFHGYNOBOO-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