General Information of the Compound
| Compound ID |
CP0545177
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| Compound Name |
US10047103, 69
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| Structure |
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| Formula |
C25H20N4O5S2
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| Molecular Weight |
520.592
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)-c3ccc(CO)cc3)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H20N4O5S2/c1-31-17-7-20(33-12-16-13-35-23(26-16)15-5-3-14(11-30)4-6-15)18-9-22(34-21(18)8-17)19-10-29-24(27-19)36-25(28-29)32-2/h3-10,13,30H,11-12H2,1-2H3
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| InChIKey |
JZBXKXZIBZEQOQ-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