General Information of the Compound
| Compound ID |
CP0419266
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| Compound Name |
US9434711, 766
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| Structure |
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| Formula |
C24H18Cl2F4N2O5S3
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| Molecular Weight |
657.516
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| Canonical SMILES |
COc1cc(NS(C)(=O)=O)c(Cl)cc1S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C24H18Cl2F4N2O5S3/c1-37-19-11-18(31-39(2,33)34)16(25)10-21(19)40(35,36)32(23-22(26)14-5-3-4-6-20(14)38-23)12-13-7-8-17(27)15(9-13)24(28,29)30/h3-11,31H,12H2,1-2H3
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| InChIKey |
KLHHKHPVSOYBDW-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