General Information of the Compound
| Compound ID |
CP0480886
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| Compound Name |
US9434711, 115
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| Structure |
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| Formula |
C22H19NO2S2
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| Molecular Weight |
393.533
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| Canonical SMILES |
O=S(=O)(N(CCc1ccccc1)c1cc2ccccc2s1)c1ccccc1
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| InChI |
InChI=1S/C22H19NO2S2/c24-27(25,20-12-5-2-6-13-20)23(16-15-18-9-3-1-4-10-18)22-17-19-11-7-8-14-21(19)26-22/h1-14,17H,15-16H2
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| InChIKey |
WSYRFAQAMKMXGR-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