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canSAR1618125
FEATURES
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NAMES
    SMILES
    CCn1c(CNC(=O)COc2ccc(C(C)C)cc2)nnc1SCC(=O)Nc1ccc(F)cc1
    InChI
    InChI=1S/C24H28FN5O3S/c1-4-30-21(13-26-22(31)14-33-20-11-5-17(6-12-20)16(2)3)28-29-24(30)34-15-23(32)27-19-9-7-18(25)8-10-19/h5-12,16H,4,13-15H2,1-3H3,(H,26,31)(H,27,32)
    MOLECULAR FORMULA
    C24H28FN5O3S
    CROSS REFERENCES
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    canSAR1618125

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.19
    AlogP 3.99
    HBond donors 2
    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 canSAR1618125.