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canSAR1616643
FEATURES
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NAMES
    SMILES
    CC(C)c1ccc(C(=O)NCCCNC(=O)c2cnccn2)cc1
    InChI
    InChI=1S/C18H22N4O2/c1-13(2)14-4-6-15(7-5-14)17(23)21-8-3-9-22-18(24)16-12-19-10-11-20-16/h4-7,10-13H,3,8-9H2,1-2H3,(H,21,23)(H,22,24)
    MOLECULAR FORMULA
    C18H22N4O2
    CROSS REFERENCES
    1616643 logo

    canSAR1616643

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 326.17
    AlogP 2.15
    HBond donors 2
    HBond acceptors 6
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1616643.