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canSAR2048736
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NAMES
    SMILES
    O=C(O)CCNc1nc(N2CCc3ccccc3C2)cc(-n2cc3ccccc3n2)n1
    InChI
    InChI=1S/C23H22N6O2/c30-22(31)9-11-24-23-25-20(28-12-10-16-5-1-2-6-17(16)14-28)13-21(26-23)29-15-18-7-3-4-8-19(18)27-29/h1-8,13,15H,9-12,14H2,(H,30,31)(H,24,25,26)
    MOLECULAR FORMULA
    C23H22N6O2
    CROSS REFERENCES
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    canSAR2048736

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 414.18
    AlogP 3.26
    HBond donors 2
    HBond acceptors 8
    Atoms 53
    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 canSAR2048736.