General Information of the Compound
| Compound ID |
CP0539404
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| Compound Name |
US10047103, 13
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| Structure |
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| Formula |
C25H20N4O4S2
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| Molecular Weight |
504.593
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3nc(sc3C)-c3ccccc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H20N4O4S2/c1-14-19(26-23(34-14)15-7-5-4-6-8-15)13-32-20-9-16(30-2)10-21-17(20)11-22(33-21)18-12-29-24(27-18)35-25(28-29)31-3/h4-12H,13H2,1-3H3
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| InChIKey |
BJTAAMSDIFAXOX-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