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canSAR1430924
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NAMES
    SMILES
    C[n+]1c(-c2ccccc2)cc2c(=Cc3ccccc3)c3ccccc3n21.O=S(=O)([O-])C(F)(F)F
    InChI
    InChI=1S/C24H19N2.CHF3O3S/c1-25-23(19-12-6-3-7-13-19)17-24-21(16-18-10-4-2-5-11-18)20-14-8-9-15-22(20)26(24)25;2-1(3,4)8(5,6)7/h2-17H,1H3;(H,5,6,7)/q+1;/p-1
    MOLECULAR FORMULA
    C25H19F3N2O3S
    CROSS REFERENCES
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    canSAR1430924

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.11
    AlogP 4.18
    HBond donors 0
    HBond acceptors 5
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1430924.