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canSAR651385
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NAMES
    SMILES
    NCCCCCNc1nc(NCCc2ccc(O)cc2)nc(-c2ccc(F)cc2)n1
    InChI
    InChI=1S/C22H27FN6O/c23-18-8-6-17(7-9-18)20-27-21(25-14-3-1-2-13-24)29-22(28-20)26-15-12-16-4-10-19(30)11-5-16/h4-11,30H,1-3,12-15,24H2,(H2,25,26,27,28,29)
    MOLECULAR FORMULA
    C22H27FN6O
    CROSS REFERENCES
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    canSAR651385

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 410.22
    AlogP 3.58
    HBond donors 5
    HBond acceptors 7
    Atoms 57
    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 canSAR651385.