General Information of the Compound
| Compound ID |
CP0043319
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| Compound Name |
4-[4-(1,3-benzodioxol-5-yloxy)phenyl]sulfonyl-N-hydroxy-1-prop-2-ynylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C22H22N2O7S
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| Molecular Weight |
458.492
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| Canonical SMILES |
ONC(=O)C1(CCN(CC#C)CC1)S(=O)(=O)c1ccc(Oc2ccc3OCOc3c2)cc1
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| InChI |
InChI=1S/C22H22N2O7S/c1-2-11-24-12-9-22(10-13-24,21(25)23-26)32(27,28)18-6-3-16(4-7-18)31-17-5-8-19-20(14-17)30-15-29-19/h1,3-8,14,26H,9-13,15H2,(H,23,25)
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| InChIKey |
LMIHEFSBOIGKDH-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