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canSAR646447
FEATURES
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NAMES
    SMILES
    CCOC(=O)c1cc2c(=Cc3ccc(N(C)C)cc3)c3ccccc3n2[n+]1C.O=S(=O)([O-])C(F)(F)F
    InChI
    InChI=1S/C23H24N3O2.CHF3O3S/c1-5-28-23(27)22-15-21-19(14-16-10-12-17(13-11-16)24(2)3)18-8-6-7-9-20(18)26(21)25(22)4;2-1(3,4)8(5,6)7/h6-15H,5H2,1-4H3;(H,5,6,7)/q+1;/p-1
    MOLECULAR FORMULA
    C24H24F3N3O5S
    CROSS REFERENCES
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    canSAR646447

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 523.14
    AlogP 2.76
    HBond donors 0
    HBond acceptors 8
    Atoms 60
    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 canSAR646447.