General Information of the Compound
| Compound ID |
CP0550816
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| Compound Name |
US10047103, 144
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| Structure |
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| Formula |
C25H24N4O5S2
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| Molecular Weight |
524.624
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2c(OCc3csc(n3)C(O)(C3CC3)C3CC3)cc(OC)cc2o1
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| InChI |
InChI=1S/C25H24N4O5S2/c1-31-16-7-19(33-11-15-12-35-22(26-15)25(30,13-3-4-13)14-5-6-14)17-9-21(34-20(17)8-16)18-10-29-23(27-18)36-24(28-29)32-2/h7-10,12-14,30H,3-6,11H2,1-2H3
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| InChIKey |
LZSPJELHJKCYCR-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