General Information of the Compound
| Compound ID |
CP0429594
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| Compound Name |
US9518064, Example 102
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| Structure |
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| Formula |
C23H18N6O4S2
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| Molecular Weight |
506.569
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3ccnc(n3)-c3csc(C)n3)cc(OC)cc2o1
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| InChI |
InChI=1S/C23H18N6O4S2/c1-12-25-17(11-34-12)21-24-5-4-13(26-21)10-32-18-6-14(30-2)7-19-15(18)8-20(33-19)16-9-29-22(27-16)35-23(28-29)31-3/h4-9,11H,10H2,1-3H3
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| InChIKey |
BWNFRJUFQRULMP-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