General Information of the Compound
| Compound ID |
CP0519664
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| Compound Name |
US10167273, Example 48
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| Structure |
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| Formula |
C16H21ClN4O3S
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| Molecular Weight |
384.889
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| Canonical SMILES |
Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cn1
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| InChI |
InChI=1S/C16H21ClN4O3S/c1-11-16(12(2)20(3)19-11)25(22,23)21-8-6-14(7-9-21)24-15-5-4-13(17)10-18-15/h4-5,10,14H,6-9H2,1-3H3
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| InChIKey |
WCIJXZQQRYPMFM-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