General Information of the Compound
| Compound ID |
CP0537353
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| Compound Name |
US10167273, Example 73
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| Structure |
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| Formula |
C17H22ClN3O4S
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| Molecular Weight |
399.9
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| Canonical SMILES |
COc1cc(Cl)ccc1OC1CCN(CC1)S(=O)(=O)c1c(C)n[nH]c1C
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| InChI |
InChI=1S/C17H22ClN3O4S/c1-11-17(12(2)20-19-11)26(22,23)21-8-6-14(7-9-21)25-15-5-4-13(18)10-16(15)24-3/h4-5,10,14H,6-9H2,1-3H3,(H,19,20)
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| InChIKey |
YBHHRLALVLWHFL-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