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canSAR1529582
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NAMES
    SMILES
    Cc1ccc(Cn2c(C3CCCN3c3nc(-c4ccc(F)cc4)cs3)nc3cc(C(F)(F)F)ccc32)cc1
    InChI
    InChI=1S/C29H24F4N4S/c1-18-4-6-19(7-5-18)16-37-25-13-10-21(29(31,32)33)15-23(25)34-27(37)26-3-2-14-36(26)28-35-24(17-38-28)20-8-11-22(30)12-9-20/h4-13,15,17,26H,2-3,14,16H2,1H3
    MOLECULAR FORMULA
    C29H24F4N4S
    CROSS REFERENCES
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    canSAR1529582

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 536.17
    AlogP 8.02
    HBond donors 0
    HBond acceptors 4
    Atoms 62
    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 canSAR1529582.