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canSAR1125536
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NAMES
    SMILES
    CC1CCCN(Cc2c(-c3nnc(SC(C)C)n3-c3ccccc3)n(C)c3ccc(F)cc23)C1
    InChI
    InChI=1S/C27H32FN5S/c1-18(2)34-27-30-29-26(33(27)21-10-6-5-7-11-21)25-23(17-32-14-8-9-19(3)16-32)22-15-20(28)12-13-24(22)31(25)4/h5-7,10-13,15,18-19H,8-9,14,16-17H2,1-4H3
    MOLECULAR FORMULA
    C27H32FN5S
    CROSS REFERENCES
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    canSAR1125536

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 477.24
    AlogP 6.30
    HBond donors 0
    HBond acceptors 5
    Atoms 66
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1125536.