General Information of the Compound
| Compound ID |
CP0574042
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| Compound Name |
US9862730, Example 310
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| Structure |
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| Formula |
C32H25N3O5S
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| Molecular Weight |
563.635
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cccc5ccccc45)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C32H25N3O5S/c1-36-24-14-28(26-16-30(40-29(26)15-24)27-17-35-31(33-27)41-32(34-35)37-2)39-18-20-7-5-11-23(13-20)38-19-22-10-6-9-21-8-3-4-12-25(21)22/h3-17H,18-19H2,1-2H3
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| InChIKey |
DRRCSBAIMNCDDO-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