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canSAR1971348
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NAMES
    SMILES
    COc1cc(C=C2SC(O)=NC2=O)ccc1Oc1ccc(C(F)(F)F)cc1Br
    InChI
    InChI=1S/C18H11BrF3NO4S/c1-26-14-6-9(7-15-16(24)23-17(25)28-15)2-4-13(14)27-12-5-3-10(8-11(12)19)18(20,21)22/h2-8H,1H3,(H,23,24,25)
    MOLECULAR FORMULA
    C18H11BrF3NO4S
    CROSS REFERENCES
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    canSAR1971348

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 472.95
    AlogP 5.80
    HBond donors 1
    HBond acceptors 5
    Atoms 39
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1971348.