General Information of the Compound
| Compound ID |
CP0561981
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| Compound Name |
US9434711, 744
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| Structure |
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| Formula |
C24H19ClF4N2O5S3
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| Molecular Weight |
623.071
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| Canonical SMILES |
COc1cc(NS(C)(=O)=O)ccc1S(=O)(=O)N(Cc1ccc(F)c(c1)C(F)(F)F)c1sc2ccccc2c1Cl
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| InChI |
InChI=1S/C24H19ClF4N2O5S3/c1-36-19-12-15(30-38(2,32)33)8-10-21(19)39(34,35)31(23-22(25)16-5-3-4-6-20(16)37-23)13-14-7-9-18(26)17(11-14)24(27,28)29/h3-12,30H,13H2,1-2H3
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| InChIKey |
VYKGUGRJYRUZGY-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