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canSAR1648696
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NAMES
    SMILES
    O=C(/C=C/CN1CCCOCC1)N1CCc2c(sc3ncnc(Nc4ccc(F)c(Cl)c4)c23)C1
    InChI
    InChI=1S/C24H25ClFN5O2S/c25-18-13-16(4-5-19(18)26)29-23-22-17-6-9-31(14-20(17)34-24(22)28-15-27-23)21(32)3-1-7-30-8-2-11-33-12-10-30/h1,3-5,13,15H,2,6-12,14H2,(H,27,28,29)/b3-1+
    MOLECULAR FORMULA
    C24H25ClFN5O2S
    CROSS REFERENCES
    1648696 logo

    canSAR1648696

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 501.14
    AlogP 4.39
    HBond donors 1
    HBond acceptors 7
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1648696.