General Information of the Compound
| Compound ID |
CP0408293
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| Compound Name |
US9862730, Example 395
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| Structure |
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| Formula |
C35H28FN3O6S
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| Molecular Weight |
637.689
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cc(F)cc(OCc5ccccc5)c4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C35H28FN3O6S/c1-40-27-15-31(29-17-33(45-32(29)16-27)30-18-39-34(37-30)46-35(38-39)41-2)44-20-23-9-6-10-26(12-23)42-21-24-11-25(36)14-28(13-24)43-19-22-7-4-3-5-8-22/h3-18H,19-21H2,1-2H3
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| InChIKey |
GYIRWPIWKOWZJG-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