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canSAR1651440
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NAMES
    SMILES
    Nc1nonc1-n1nnc(C(=O)NN=Cc2cccc(F)c2)c1CN1CCCCCC1
    InChI
    InChI=1S/C19H22FN9O2/c20-14-7-5-6-13(10-14)11-22-24-19(30)16-15(12-28-8-3-1-2-4-9-28)29(27-23-16)18-17(21)25-31-26-18/h5-7,10-11H,1-4,8-9,12H2,(H2,21,25)(H,24,30)
    MOLECULAR FORMULA
    C19H22FN9O2
    CROSS REFERENCES
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    canSAR1651440

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.19
    AlogP 1.51
    HBond donors 3
    HBond acceptors 11
    Atoms 53
    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 canSAR1651440.