General Information of the Compound
| Compound ID |
CP0441500
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| Compound Name |
US9862730, Example 348
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| Structure |
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| Formula |
C29H25N3O5S
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| Molecular Weight |
527.602
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| Canonical SMILES |
CCOc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C29H25N3O5S/c1-3-34-29-31-32-16-24(30-28(32)38-29)27-15-23-25(13-22(33-2)14-26(23)37-27)36-18-20-10-7-11-21(12-20)35-17-19-8-5-4-6-9-19/h4-16H,3,17-18H2,1-2H3
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| InChIKey |
RMKOWXZOLLEIQR-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