General Information of the Compound
| Compound ID |
CP0406617
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| Compound Name |
US9434711, 682
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| Structure |
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| Formula |
C20H18Cl3F3N2O4S3
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| Molecular Weight |
609.928
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| Canonical SMILES |
CS(=O)(=O)Nc1c(Cl)cc(cc1Cl)S(=O)(=O)N(CCCCC(F)(F)F)c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C20H18Cl3F3N2O4S3/c1-34(29,30)27-18-14(21)10-12(11-15(18)22)35(31,32)28(9-5-4-8-20(24,25)26)19-17(23)13-6-2-3-7-16(13)33-19/h2-3,6-7,10-11,27H,4-5,8-9H2,1H3
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| InChIKey |
GTQUVRJULOWEAD-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