General Information of the Compound
| Compound ID |
CP0537357
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| Compound Name |
US10167273, Example 84
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| Structure |
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| Formula |
C17H23ClN4O4S
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| Molecular Weight |
414.915
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| Canonical SMILES |
COc1cc(Cl)cnc1OC1CCN(CC1)S(=O)(=O)c1c(C)nn(C)c1C
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| InChI |
InChI=1S/C17H23ClN4O4S/c1-11-16(12(2)21(3)20-11)27(23,24)22-7-5-14(6-8-22)26-17-15(25-4)9-13(18)10-19-17/h9-10,14H,5-8H2,1-4H3
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| InChIKey |
HXYYINKUXKDVIA-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