General Information of the Compound
| Compound ID |
CP0512584
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| Compound Name |
US9434711, 733
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| Structure |
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| Formula |
C23H16BrClFNO3S2
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| Molecular Weight |
552.874
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| Canonical SMILES |
CC(=O)c1c(sc2ccccc12)N(Cc1ccc(F)c(Cl)c1)S(=O)(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C23H16BrClFNO3S2/c1-14(28)22-18-4-2-3-5-21(18)31-23(22)27(13-15-6-11-20(26)19(25)12-15)32(29,30)17-9-7-16(24)8-10-17/h2-12H,13H2,1H3
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| InChIKey |
UKKMBRWTSGWEGD-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