General Information of the Compound
| Compound ID |
CP0515939
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| Compound Name |
N-[1-(1,3-benzodioxol-5-ylmethyl)piperidin-4-yl]-2-(methanesulfonamido)-5-methoxybenzamide
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| Structure |
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| Formula |
C22H27N3O6S
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| Molecular Weight |
461.54
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| Canonical SMILES |
COc1ccc(NS(C)(=O)=O)c(c1)C(=O)NC1CCN(Cc2ccc3OCOc3c2)CC1
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| InChI |
InChI=1S/C22H27N3O6S/c1-29-17-4-5-19(24-32(2,27)28)18(12-17)22(26)23-16-7-9-25(10-8-16)13-15-3-6-20-21(11-15)31-14-30-20/h3-6,11-12,16,24H,7-10,13-14H2,1-2H3,(H,23,26)
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| InChIKey |
QUZHAJBQEBLXAB-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