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canSAR838800
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NAMES
    SMILES
    O=C(NC1CC1c1ccccc1)N1CCC(n2ccnn2)CC1
    InChI
    InChI=1S/C17H21N5O/c23-17(19-16-12-15(16)13-4-2-1-3-5-13)21-9-6-14(7-10-21)22-11-8-18-20-22/h1-5,8,11,14-16H,6-7,9-10,12H2,(H,19,23)
    MOLECULAR FORMULA
    C17H21N5O
    CROSS REFERENCES
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    canSAR838800

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 311.17
    AlogP 2.18
    HBond donors 1
    HBond acceptors 6
    Atoms 44
    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 canSAR838800.