General Information of the Compound
| Compound ID |
CP0519661
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| Compound Name |
US10167273, Example 16
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| Structure |
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| Formula |
C17H19ClF3N3O3S
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| Molecular Weight |
437.871
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| Canonical SMILES |
Cc1c(c(nn1C)C(F)(F)F)S(=O)(=O)N1CCC(CC1)Oc1ccc(Cl)cc1
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| InChI |
InChI=1S/C17H19ClF3N3O3S/c1-11-15(16(17(19,20)21)22-23(11)2)28(25,26)24-9-7-14(8-10-24)27-13-5-3-12(18)4-6-13/h3-6,14H,7-10H2,1-2H3
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| InChIKey |
KPJAFANGUDWARZ-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