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canSAR643371
FEATURES
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NAMES
    SMILES
    CN(C)c1ccc(/C=C/C=c2/c3ccccc3n3c2cc(-c2ccccc2)[n+]3C)cc1.O=S(=O)([O-])C(F)(F)F
    InChI
    InChI=1S/C28H26N3.CHF3O3S/c1-29(2)23-18-16-21(17-19-23)10-9-14-25-24-13-7-8-15-26(24)31-28(25)20-27(30(31)3)22-11-5-4-6-12-22;2-1(3,4)8(5,6)7/h4-20H,1-3H3;(H,5,6,7)/q+1;/p-1
    MOLECULAR FORMULA
    C29H26F3N3O3S
    CROSS REFERENCES
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    canSAR643371

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 553.16
    AlogP 4.91
    HBond donors 0
    HBond acceptors 6
    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 canSAR643371.