General Information of the Compound
Compound ID |
CP0530431
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Compound Name |
US9434711, 724
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Structure |
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Formula |
C20H17F4NO3S2
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Molecular Weight |
459.486
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Canonical SMILES |
Cc1c(sc2ccccc12)N(Cc1ccc(F)c(c1)C(F)(F)F)S(=O)(=O)CCC=O
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InChI |
InChI=1S/C20H17F4NO3S2/c1-13-15-5-2-3-6-18(15)29-19(13)25(30(27,28)10-4-9-26)12-14-7-8-17(21)16(11-14)20(22,23)24/h2-3,5-9,11H,4,10,12H2,1H3
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InChIKey |
VLLWLVGLJXYSLD-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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ChEMBL ID |
Map of Molecular Bioactivity Related to the Compound
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