General Information of the Compound
| Compound ID |
CP0550426
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| Compound Name |
N-(1,2,3-benzothiadiazol-5-yl)-1-(2,3-dihydro-1-benzofuran-5-ylsulfonyl)piperidine-4-carboxamide
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| Structure |
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| Formula |
C20H20N4O4S2
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| Molecular Weight |
444.538
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| Canonical SMILES |
O=C(Nc1ccc2snnc2c1)C1CCN(CC1)S(=O)(=O)c1ccc2OCCc2c1
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| InChI |
InChI=1S/C20H20N4O4S2/c25-20(21-15-1-4-19-17(12-15)22-23-29-19)13-5-8-24(9-6-13)30(26,27)16-2-3-18-14(11-16)7-10-28-18/h1-4,11-13H,5-10H2,(H,21,25)
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| InChIKey |
ZMIINYREPSZMFP-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