General Information of the Compound
| Compound ID |
CP0498636
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| Compound Name |
N-benzyl-1-(2,3-dihydro-1,4-benzodioxin-5-ylsulfonyl)-N-ethylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C23H28N2O5S
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| Molecular Weight |
444.553
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| Canonical SMILES |
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc2OCCOc12
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| InChI |
InChI=1S/C23H28N2O5S/c1-2-24(17-18-7-4-3-5-8-18)23(26)19-11-13-25(14-12-19)31(27,28)21-10-6-9-20-22(21)30-16-15-29-20/h3-10,19H,2,11-17H2,1H3
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| InChIKey |
VZXCJTVGCMTSHC-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