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canSAR1686305
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NAMES
    SMILES
    CC(C)NC(=O)N[C@H]1CC[C@H](Nc2ncc3ccc(=O)[nH]c3n2)CC1
    InChI
    InChI=1S/C17H24N6O2/c1-10(2)19-17(25)21-13-6-4-12(5-7-13)20-16-18-9-11-3-8-14(24)22-15(11)23-16/h3,8-10,12-13H,4-7H2,1-2H3,(H2,19,21,25)(H2,18,20,22,23,24)/t12-,13-
    MOLECULAR FORMULA
    C17H24N6O2
    CROSS REFERENCES
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    canSAR1686305

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 344.20
    AlogP 1.75
    HBond donors 4
    HBond acceptors 8
    Atoms 49
    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 canSAR1686305.