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canSAR645377
FEATURES
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NAMES
    SMILES
    COc1cccc2c1/c(=C/c1ccc(N(C)C)cc1)c1cc(-c3ccccc3)[n+](C)n12.O=S(=O)([O-])C(F)(F)F
    InChI
    InChI=1S/C27H26N3O.CHF3O3S/c1-28(2)21-15-13-19(14-16-21)17-22-25-18-24(20-9-6-5-7-10-20)29(3)30(25)23-11-8-12-26(31-4)27(22)23;2-1(3,4)8(5,6)7/h5-18H,1-4H3;(H,5,6,7)/q+1;/p-1
    MOLECULAR FORMULA
    C28H26F3N3O4S
    CROSS REFERENCES
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    canSAR645377

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 557.16
    AlogP 4.26
    HBond donors 0
    HBond acceptors 7
    Atoms 65
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR645377.