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canSAR1206111
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NAMES
    SMILES
    COc1ccc(-c2nc3c(s2)CN([C@H](C)[C@](O)(Cn2cncn2)c2ccc(F)cc2F)CC3)cc1
    InChI
    InChI=1S/C25H25F2N5O2S/c1-16(25(33,13-32-15-28-14-29-32)20-8-5-18(26)11-21(20)27)31-10-9-22-23(12-31)35-24(30-22)17-3-6-19(34-2)7-4-17/h3-8,11,14-16,33H,9-10,12-13H2,1-2H3/t16-,25-/m1/s1
    MOLECULAR FORMULA
    C25H25F2N5O2S
    CROSS REFERENCES
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    canSAR1206111

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 497.17
    AlogP 4.02
    HBond donors 1
    HBond acceptors 7
    Atoms 60
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1206111.