General Information of the Compound
| Compound ID |
CP0486520
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| Compound Name |
US10047103, 76
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| Structure |
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| Formula |
C28H24N4O6S2
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| Molecular Weight |
576.656
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)-c3cccc(COC(C)=O)c3)cc(OC)cc2o1
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| InChI |
InChI=1S/C28H24N4O6S2/c1-15-22(29-26(39-15)18-7-5-6-17(8-18)13-36-16(2)33)14-37-23-9-19(34-3)10-24-20(23)11-25(38-24)21-12-32-27(30-21)40-28(31-32)35-4/h5-12H,13-14H2,1-4H3
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| InChIKey |
LXQOUJRFZDCBGW-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