General Information of the Compound
| Compound ID |
CP0532633
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| Compound Name |
US9434711, 736
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| Structure |
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| Formula |
C24H22BrNO3S2
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| Molecular Weight |
516.482
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| Canonical SMILES |
CC(C)(O)c1c(sc2ccccc12)N(Cc1ccccc1)S(=O)(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C24H22BrNO3S2/c1-24(2,27)22-20-10-6-7-11-21(20)30-23(22)26(16-17-8-4-3-5-9-17)31(28,29)19-14-12-18(25)13-15-19/h3-15,27H,16H2,1-2H3
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| InChIKey |
YFJILSTUEPQERB-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