General Information of the Compound
| Compound ID |
CP0518255
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| Compound Name |
US9067871, 43
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| Structure |
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| Formula |
C22H28N2O2S
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| Molecular Weight |
384.545
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| Canonical SMILES |
NC1CCc2ccc(CNS(=O)(=O)C3CCC3)cc2C1Cc1ccccc1
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| InChI |
InChI=1S/C22H28N2O2S/c23-22-12-11-18-10-9-17(15-24-27(25,26)19-7-4-8-19)14-20(18)21(22)13-16-5-2-1-3-6-16/h1-3,5-6,9-10,14,19,21-22,24H,4,7-8,11-13,15,23H2
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| InChIKey |
JYTFEYCQTQEXGG-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