General Information of the Compound
| Compound ID |
CP0159968
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| Compound Name |
N-[3-oxo-3-(4-pyridin-2-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide
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| Structure |
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| Formula |
C18H20N6O3S2
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| Molecular Weight |
432.531
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| Canonical SMILES |
O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1ccccn1
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| InChI |
InChI=1S/C18H20N6O3S2/c25-17(24-12-10-23(11-13-24)16-6-1-2-8-19-16)7-9-20-29(26,27)15-5-3-4-14-18(15)22-28-21-14/h1-6,8,20H,7,9-13H2
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| InChIKey |
PAUICUBCWHEEDI-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