General Information of the Compound
| Compound ID |
CP0415080
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| Compound Name |
US9862730, Example 420
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| Structure |
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| Formula |
C28H20F3N3O6S3
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| Molecular Weight |
647.678
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| Canonical SMILES |
CSc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OS(=O)(=O)C(F)(F)F)cc2o1
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| InChI |
InChI=1S/C28H20F3N3O6S3/c1-41-27-33-34-14-22(32-26(34)42-27)25-13-21-23(11-20(12-24(21)39-25)40-43(35,36)28(29,30)31)38-16-18-8-5-9-19(10-18)37-15-17-6-3-2-4-7-17/h2-14H,15-16H2,1H3
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| InChIKey |
JRLOAACCOYKHGW-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