General Information of the Compound
| Compound ID |
CP0482809
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| Compound Name |
US9434711, 81
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| Structure |
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| Formula |
C20H22ClNO3S2
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| Molecular Weight |
423.987
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| Canonical SMILES |
CC(C)(C)OCCN(c1sc2ccccc2c1Cl)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C20H22ClNO3S2/c1-20(2,3)25-14-13-22(27(23,24)15-9-5-4-6-10-15)19-18(21)16-11-7-8-12-17(16)26-19/h4-12H,13-14H2,1-3H3
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| InChIKey |
BGCSQGGPXOBIGE-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