General Information of the Compound
| Compound ID |
CP0527433
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| Compound Name |
US9862730, Example 330
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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(OCc4c(F)ccc(F)c4F)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H20F3N3O5S/c1-35-17-9-23(18-11-25(39-24(18)10-17)22-12-34-27(32-22)40-28(33-34)36-2)38-13-15-4-3-5-16(8-15)37-14-19-20(29)6-7-21(30)26(19)31/h3-12H,13-14H2,1-2H3
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| InChIKey |
PIMMVJDYGPHOHZ-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