General Information of the Compound
| Compound ID |
CP0548879
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| Compound Name |
US9862730, Example 84
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| Structure |
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| Formula |
C21H18N4O3S
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| Molecular Weight |
406.467
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| Canonical SMILES |
CCc1nn2cc(nc2s1)-c1nc2ccc(OCc3ccc(OC)cc3)cc2o1
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| InChI |
InChI=1S/C21H18N4O3S/c1-3-19-24-25-11-17(23-21(25)29-19)20-22-16-9-8-15(10-18(16)28-20)27-12-13-4-6-14(26-2)7-5-13/h4-11H,3,12H2,1-2H3
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| InChIKey |
NDSCKXDOMZTJQT-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