General Information of the Compound
| Compound ID |
CP0132733
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| Compound Name |
7-(4-bromophenyl)-4-chloro-9,9-dioxo-7lambda4,9lambda6-dithia-8-azabicyclo[4.3.0]nona-1,3,5,7-tetraene-3-sulfonamide
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| Structure |
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| Formula |
C12H8BrClN2O4S3
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| Molecular Weight |
455.764
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| Canonical SMILES |
NS(=O)(=O)c1cc2c(cc1Cl)S(=NS2(=O)=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C12H8BrClN2O4S3/c13-7-1-3-8(4-2-7)21-10-5-9(14)11(22(15,17)18)6-12(10)23(19,20)16-21/h1-6H,(H2,15,17,18)
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| InChIKey |
SWJLBOMPQPZHSM-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