General Information of the Compound
| Compound ID |
CP0561969
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| Compound Name |
US9434711, 606
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| Structure |
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| Formula |
C17H20F3NO4S2
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| Molecular Weight |
423.478
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| Canonical SMILES |
Cc1c(sc2ccccc12)N(CCCCC(F)(F)F)S(=O)(=O)CCC(O)=O
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| InChI |
InChI=1S/C17H20F3NO4S2/c1-12-13-6-2-3-7-14(13)26-16(12)21(10-5-4-9-17(18,19)20)27(24,25)11-8-15(22)23/h2-3,6-7H,4-5,8-11H2,1H3,(H,22,23)
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| InChIKey |
IUWDWAGXXBQMKX-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