General Information of the Compound
| Compound ID |
CP0560331
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| Compound Name |
CHEMBL4099443
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| Formula |
C26H19FN4O5S2
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| Molecular Weight |
550.593
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| Canonical SMILES |
NS(=O)(=O)c1ccc(Cc2c(O)n(nc2-c2cccc(c2)-c2ccccc2F)-c2nc(cs2)C(O)=O)cc1
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| InChI |
InChI=1S/C26H19FN4O5S2/c27-21-7-2-1-6-19(21)16-4-3-5-17(13-16)23-20(12-15-8-10-18(11-9-15)38(28,35)36)24(32)31(30-23)26-29-22(14-37-26)25(33)34/h1-11,13-14,32H,12H2,(H,33,34)(H2,28,35,36)
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| InChIKey |
FODPHDMOEWMJFT-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