General Information of the Compound
| Compound ID |
CP0572434
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| Compound Name |
US9340555, 73
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| Structure |
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| Formula |
C22H19N3O4S
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| Molecular Weight |
421.478
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| Canonical SMILES |
CCNC(=O)c1cc2nccc(Oc3cccc(NC(=O)c4occc4C)c3)c2s1
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| InChI |
InChI=1S/C22H19N3O4S/c1-3-23-21(26)18-12-16-20(30-18)17(7-9-24-16)29-15-6-4-5-14(11-15)25-22(27)19-13(2)8-10-28-19/h4-12H,3H2,1-2H3,(H,23,26)(H,25,27)
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| InChIKey |
RLAISKQYVHVVAQ-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