General Information of the Compound
| Compound ID |
CP0547212
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| Compound Name |
US9862730, Example 325
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| Structure |
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| Formula |
C28H20F3N3O5S
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| Molecular Weight |
567.545
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccc(F)c(F)c4F)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H20F3N3O5S/c1-35-18-9-22(19-11-24(39-23(19)10-18)21-12-34-27(32-21)40-28(33-34)36-2)38-13-15-4-3-5-17(8-15)37-14-16-6-7-20(29)26(31)25(16)30/h3-12H,13-14H2,1-2H3
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| InChIKey |
DMEOJDHQDUJNCG-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