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canSAR646431
FEATURES
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NAMES
    SMILES
    COc1cc(/C=c2/c3ccccc3n3c2cc(-c2ccccc2)[n+]3C)cc(OC)c1OC.O=S(=O)([O-])C(F)(F)F
    InChI
    InChI=1S/C27H25N2O3.CHF3O3S/c1-28-23(19-10-6-5-7-11-19)17-24-21(20-12-8-9-13-22(20)29(24)28)14-18-15-25(30-2)27(32-4)26(16-18)31-3;2-1(3,4)8(5,6)7/h5-17H,1-4H3;(H,5,6,7)/q+1;/p-1/b21-14-;
    MOLECULAR FORMULA
    C28H25F3N2O6S
    CROSS REFERENCES
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    canSAR646431

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 574.14
    AlogP 4.21
    HBond donors 0
    HBond acceptors 8
    Atoms 65
    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 canSAR646431.