General Information of the Compound
| Compound ID |
CP0540597
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| Compound Name |
US9862730, Example 383
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| Structure |
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| Formula |
C35H29N3O6S
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| Molecular Weight |
619.699
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cccc(OCc5ccccc5)c4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C35H29N3O6S/c1-39-28-16-31(29-18-33(44-32(29)17-28)30-19-38-34(36-30)45-35(37-38)40-2)43-22-25-11-7-13-27(15-25)42-21-24-10-6-12-26(14-24)41-20-23-8-4-3-5-9-23/h3-19H,20-22H2,1-2H3
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| InChIKey |
SKIKMBGWGAILFY-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