General Information of the Compound
| Compound ID |
CP0547244
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| Compound Name |
US9862730, Example 104
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| Structure |
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| Formula |
C20H15N3O3S
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| Molecular Weight |
377.425
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| Canonical SMILES |
COc1nn2cc(nc2s1)-c1cc2ccc(OCc3ccccc3)cc2o1
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| InChI |
InChI=1S/C20H15N3O3S/c1-24-20-22-23-11-16(21-19(23)27-20)18-9-14-7-8-15(10-17(14)26-18)25-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
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| InChIKey |
MDVAJAPMJCGGDY-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