General Information of the Compound
| Compound ID |
CP0524906
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| Compound Name |
5-methyl-N-[3-oxo-3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide
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| Structure |
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| Formula |
C19H22N6O3S2
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| Molecular Weight |
446.558
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| Canonical SMILES |
Cc1ccc2nsnc2c1S(=O)(=O)NCCC(=O)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C19H22N6O3S2/c1-14-2-3-16-18(23-29-22-16)19(14)30(27,28)21-9-6-17(26)25-12-10-24(11-13-25)15-4-7-20-8-5-15/h2-5,7-8,21H,6,9-13H2,1H3
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| InChIKey |
AJELSTCUTCXIEC-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