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canSAR1589544
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NAMES
    SMILES
    COc1ccc(C(c2nnnn2Cc2cccs2)N2CCN(c3ccc(F)cc3)CC2)cc1OC
    InChI
    InChI=1S/C25H27FN6O2S/c1-33-22-10-5-18(16-23(22)34-2)24(25-27-28-29-32(25)17-21-4-3-15-35-21)31-13-11-30(12-14-31)20-8-6-19(26)7-9-20/h3-10,15-16,24H,11-14,17H2,1-2H3
    MOLECULAR FORMULA
    C25H27FN6O2S
    CROSS REFERENCES
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    canSAR1589544

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 494.19
    AlogP 3.85
    HBond donors 0
    HBond acceptors 8
    Atoms 62
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1589544.