General Information of the Compound
| Compound ID |
CP0408286
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| Compound Name |
US9862730, Example 417
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| Structure |
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| Formula |
C28H20N4O4S
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| Molecular Weight |
508.559
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4ccccc4)c3)cc(cc2o1)C#N
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| InChI |
InChI=1S/C28H20N4O4S/c1-33-28-31-32-15-23(30-27(32)37-28)26-13-22-24(11-20(14-29)12-25(22)36-26)35-17-19-8-5-9-21(10-19)34-16-18-6-3-2-4-7-18/h2-13,15H,16-17H2,1H3
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| InChIKey |
KNURGPAACDSHAC-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