General Information of the Compound
| Compound ID |
CP0508998
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| Compound Name |
US8916553, 169
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| Structure |
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| Formula |
C20H21N3O3S
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| Molecular Weight |
383.473
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| Canonical SMILES |
COc1cc(NS(=O)(=O)CCc2ccccc2)ccc1-c1cncnc1C
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| InChI |
InChI=1S/C20H21N3O3S/c1-15-19(13-21-14-22-15)18-9-8-17(12-20(18)26-2)23-27(24,25)11-10-16-6-4-3-5-7-16/h3-9,12-14,23H,10-11H2,1-2H3
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| InChIKey |
LSUAHUTZZUQRMD-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