General Information of the Compound
| Compound ID |
CP0566992
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| Compound Name |
US9862730, Example 380
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| Structure |
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| Formula |
C31H29N3O8S
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| Molecular Weight |
603.653
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4cc(OC)c(OC)c(OC)c4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C31H29N3O8S/c1-35-21-12-24(22-14-26(42-25(22)13-21)23-15-34-30(32-23)43-31(33-34)39-5)41-16-18-7-6-8-20(9-18)40-17-19-10-27(36-2)29(38-4)28(11-19)37-3/h6-15H,16-17H2,1-5H3
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| InChIKey |
WREBQTLIIQIWEE-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