General Information of the Compound
| Compound ID |
CP0408292
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| Compound Name |
US9862730, Example 399
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| Structure |
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| Formula |
C26H22N4O5S2
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| Molecular Weight |
534.619
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3cccc(OCc4csc(C)n4)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C26H22N4O5S2/c1-15-27-17(14-36-15)13-33-18-6-4-5-16(7-18)12-34-22-8-19(31-2)9-23-20(22)10-24(35-23)21-11-30-25(28-21)37-26(29-30)32-3/h4-11,14H,12-13H2,1-3H3
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| InChIKey |
QJNCXIUQHXCQMN-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