General Information of the Compound
| Compound ID |
CP0554064
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| Compound Name |
US9434711, 277
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| Structure |
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| Formula |
C21H21BrN2O5S2
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| Molecular Weight |
525.446
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(CCN1CCOCC1)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C21H21BrN2O5S2/c22-19-17-3-1-2-4-18(17)30-20(19)24(10-9-23-11-13-29-14-12-23)31(27,28)16-7-5-15(6-8-16)21(25)26/h1-8H,9-14H2,(H,25,26)
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| InChIKey |
YKSSKGZHGBLMHE-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