General Information of the Compound
| Compound ID |
CP0554985
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| Compound Name |
US9434711, 438
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| Structure |
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| Formula |
C21H20BrNO4S2
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| Molecular Weight |
494.432
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| Canonical SMILES |
OC(=O)c1ccc(cc1)S(=O)(=O)N(CC1CCCC1)c1sc2ccccc2c1Br
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| InChI |
InChI=1S/C21H20BrNO4S2/c22-19-17-7-3-4-8-18(17)28-20(19)23(13-14-5-1-2-6-14)29(26,27)16-11-9-15(10-12-16)21(24)25/h3-4,7-12,14H,1-2,5-6,13H2,(H,24,25)
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| InChIKey |
OYWJOOYYYVZXOS-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