General Information of the Compound
| Compound ID |
CP0540601
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| Compound Name |
US9862730, Example 372
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| Structure |
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| Formula |
C34H27N3O6S
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| Molecular Weight |
605.672
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccc(Oc5ccccc5)cc4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C34H27N3O6S/c1-38-27-16-30(28-18-32(43-31(28)17-27)29-19-37-33(35-29)44-34(36-37)39-2)41-21-23-7-6-10-26(15-23)40-20-22-11-13-25(14-12-22)42-24-8-4-3-5-9-24/h3-19H,20-21H2,1-2H3
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| InChIKey |
UXEBTBVFLVLQBO-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