General Information of the Compound
| Compound ID |
CP0397059
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| Compound Name |
1-(2,1,3-benzothiadiazol-4-ylsulfonyl)-N-benzyl-N-ethylpiperidine-4-carboxamide
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| Structure |
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| Formula |
C21H24N4O3S2
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| Molecular Weight |
444.582
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| Canonical SMILES |
CCN(Cc1ccccc1)C(=O)C1CCN(CC1)S(=O)(=O)c1cccc2nsnc12
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| InChI |
InChI=1S/C21H24N4O3S2/c1-2-24(15-16-7-4-3-5-8-16)21(26)17-11-13-25(14-12-17)30(27,28)19-10-6-9-18-20(19)23-29-22-18/h3-10,17H,2,11-15H2,1H3
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| InChIKey |
BXNFCLORCWACCR-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