General Information of the Compound
| Compound ID |
CP0574130
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| Compound Name |
US10047103, 19
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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)-c3ccccc3OC)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H20N4O5S2/c1-30-15-8-20(33-12-14-13-35-23(26-14)16-6-4-5-7-19(16)31-2)17-10-22(34-21(17)9-15)18-11-29-24(27-18)36-25(28-29)32-3/h4-11,13H,12H2,1-3H3
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| InChIKey |
PVDOBPBTFHFOQO-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