General Information of the Compound
| Compound ID |
CP0384734
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| Compound Name |
US9434711, 164
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| Structure |
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| Formula |
C22H18BrNO3S2
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| Molecular Weight |
488.428
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| Canonical SMILES |
COc1ccc(CN(c2sc3ccccc3c2Br)S(=O)(=O)c2ccccc2)cc1
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| InChI |
InChI=1S/C22H18BrNO3S2/c1-27-17-13-11-16(12-14-17)15-24(29(25,26)18-7-3-2-4-8-18)22-21(23)19-9-5-6-10-20(19)28-22/h2-14H,15H2,1H3
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| InChIKey |
MSAPUXIEMKAHAC-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