General Information of the Compound
| Compound ID |
CP0537428
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| Compound Name |
US9434711, 95
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| Structure |
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| Formula |
C21H24N2O3S2
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| Molecular Weight |
416.568
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCN1CCOCC1)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C21H24N2O3S2/c1-17-19-9-5-6-10-20(19)27-21(17)23(12-11-22-13-15-26-16-14-22)28(24,25)18-7-3-2-4-8-18/h2-10H,11-16H2,1H3
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| InChIKey |
YIODXAUPKQFSHL-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