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canSAR112530
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NAMES
    SMILES
    Fc1ccc(-c2nc3c(C4CCCC4)cccn3c2-c2ccnc(NC3CCCC3)n2)cc1
    InChI
    InChI=1S/C27H28FN5/c28-20-13-11-19(12-14-20)24-25(23-15-16-29-27(31-23)30-21-8-3-4-9-21)33-17-5-10-22(26(33)32-24)18-6-1-2-7-18/h5,10-18,21H,1-4,6-9H2,(H,29,30,31)
    MOLECULAR FORMULA
    C27H28FN5
    CROSS REFERENCES
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    canSAR112530

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 441.23
    AlogP 6.61
    HBond donors 1
    HBond acceptors 5
    Atoms 61
    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 canSAR112530.