General Information of the Compound
| Compound ID |
CP0573722
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| Compound Name |
US9518064, Example 41
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| Structure |
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| Formula |
C26H20N4O6S
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| Molecular Weight |
516.535
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(c3)-c3coc(c3)C(N)=O)cc(OC)cc2o1
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| InChI |
InChI=1S/C26H20N4O6S/c1-32-17-8-20(34-12-14-4-3-5-15(6-14)16-7-23(24(27)31)35-13-16)18-10-22(36-21(18)9-17)19-11-30-25(28-19)37-26(29-30)33-2/h3-11,13H,12H2,1-2H3,(H2,27,31)
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| InChIKey |
VPRFLNCOHDWXQM-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