General Information of the Compound
| Compound ID |
CP0463031
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| Compound Name |
N-[3-(4-pyridin-4-ylpiperazin-1-yl)propyl]-2,1,3-benzothiadiazole-4-sulfonamide
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| Structure |
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| Formula |
C18H22N6O2S2
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| Molecular Weight |
418.548
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| Canonical SMILES |
O=S(=O)(NCCCN1CCN(CC1)c1ccncc1)c1cccc2nsnc12
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| InChI |
InChI=1S/C18H22N6O2S2/c25-28(26,17-4-1-3-16-18(17)22-27-21-16)20-7-2-10-23-11-13-24(14-12-23)15-5-8-19-9-6-15/h1,3-6,8-9,20H,2,7,10-14H2
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| InChIKey |
LEWWKRQZLFEBAY-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