General Information of the Compound
| Compound ID |
CP0560274
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| Compound Name |
US9862730, Example 375
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| Structure |
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| Formula |
C35H28ClN3O6S
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| Molecular Weight |
654.144
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cccc(OCc5cccc(Cl)c5)c4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C35H28ClN3O6S/c1-40-28-15-31(29-17-33(45-32(29)16-28)30-18-39-34(37-30)46-35(38-39)41-2)44-21-24-8-5-11-27(14-24)43-20-23-7-4-10-26(13-23)42-19-22-6-3-9-25(36)12-22/h3-18H,19-21H2,1-2H3
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| InChIKey |
OPLNRPPCKKKVPE-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