General Information of the Compound
| Compound ID |
CP0575689
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| Compound Name |
US8916553, 160
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| Structure |
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| Formula |
C21H17N3O3S
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| Molecular Weight |
391.452
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| Canonical SMILES |
COc1cc(NS(=O)(=O)c2ccccn2)ccc1-c1cncc2ccccc12
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| InChI |
InChI=1S/C21H17N3O3S/c1-27-20-12-16(24-28(25,26)21-8-4-5-11-23-21)9-10-18(20)19-14-22-13-15-6-2-3-7-17(15)19/h2-14,24H,1H3
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| InChIKey |
SFFHDFTXFGOHOD-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