General Information of the Compound
| Compound ID |
CP0891767
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| Compound Name |
SID57266362
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| Structure |
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| Formula |
C16H12BrN3O3S2
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| Molecular Weight |
438.328
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| Canonical SMILES |
O=C(Nc1cccc(Br)c1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12
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| InChI |
InChI=1S/C16H12BrN3O3S2/c17-11-2-1-3-12(9-11)18-15(21)10-4-5-13-14(8-10)24-16-19-25(22,23)7-6-20(13)16/h1-5,8-9H,6-7H2,(H,18,21)
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| InChIKey |
SWLFNAULVSZFCY-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