General Information of the Compound
| Compound ID |
CP0566344
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| Compound Name |
US10167273, Example 108
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| Structure |
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| Formula |
C17H22ClN3O3S
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| Molecular Weight |
383.901
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| Canonical SMILES |
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(O)(Cc2ccc(Cl)cc2)CC1
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| InChI |
InChI=1S/C17H22ClN3O3S/c1-12-16(13(2)20-19-12)25(23,24)21-9-7-17(22,8-10-21)11-14-3-5-15(18)6-4-14/h3-6,22H,7-11H2,1-2H3,(H,19,20)
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| InChIKey |
OPENZPZRINRZHE-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