General Information of the Compound
| Compound ID |
CP0559294
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| Compound Name |
US9434711, 834
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| Structure |
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| Formula |
C22H15Br2F2NO3S2
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| Molecular Weight |
603.304
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| Canonical SMILES |
OCc1c(sc2ccccc12)N(Cc1ccc(F)c(F)c1)S(=O)(=O)c1cc(Br)ccc1Br
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| InChI |
InChI=1S/C22H15Br2F2NO3S2/c23-14-6-7-17(24)21(10-14)32(29,30)27(11-13-5-8-18(25)19(26)9-13)22-16(12-28)15-3-1-2-4-20(15)31-22/h1-10,28H,11-12H2
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| InChIKey |
GNLCUKGNWLJRJG-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