General Information of the Compound
| Compound ID |
CP0517887
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| Compound Name |
US9169240, 69
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| Structure |
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| Formula |
C25H20N4O4S
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| Molecular Weight |
472.526
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| Canonical SMILES |
COc1ccc(CNc2nnc(o2)C(=O)c2nc3ccc(cc3s2)-c2ccccc2)c(OC)c1
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| InChI |
InChI=1S/C25H20N4O4S/c1-31-18-10-8-17(20(13-18)32-2)14-26-25-29-28-23(33-25)22(30)24-27-19-11-9-16(12-21(19)34-24)15-6-4-3-5-7-15/h3-13H,14H2,1-2H3,(H,26,29)
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| InChIKey |
UDZXAXNTBBIQLW-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