General Information of the Compound
| Compound ID |
CP0531368
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| Compound Name |
N-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]-2,1,3-benzothiadiazole-4-sulfonamide
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| Structure |
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| Formula |
C16H18N6O3S3
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| Molecular Weight |
438.56
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| Canonical SMILES |
O=C(CCNS(=O)(=O)c1cccc2nsnc12)N1CCN(CC1)c1nccs1
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| InChI |
InChI=1S/C16H18N6O3S3/c23-14(21-7-9-22(10-8-21)16-17-6-11-26-16)4-5-18-28(24,25)13-3-1-2-12-15(13)20-27-19-12/h1-3,6,11,18H,4-5,7-10H2
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| InChIKey |
DCRRXOMXZKWYTE-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