General Information of the Compound
| Compound ID |
CP0548861
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| Compound Name |
US9862730, Example 359
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| Structure |
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| Formula |
C31H29N3O6S
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| Molecular Weight |
571.655
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccc(OC)c(C)c4C)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C31H29N3O6S/c1-18-19(2)26(36-4)10-9-21(18)17-38-22-8-6-7-20(11-22)16-39-27-12-23(35-3)13-28-24(27)14-29(40-28)25-15-34-30(32-25)41-31(33-34)37-5/h6-15H,16-17H2,1-5H3
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| InChIKey |
MQJOQQVGTKOVCP-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