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canSAR98421
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NAMES
    SMILES
    c1ccc(CN2CCN(c3ccc(C4CC(c5ccccn5)=NO4)cc3)CC2)cc1
    InChI
    InChI=1S/C25H26N4O/c1-2-6-20(7-3-1)19-28-14-16-29(17-15-28)22-11-9-21(10-12-22)25-18-24(27-30-25)23-8-4-5-13-26-23/h1-13,25H,14-19H2
    MOLECULAR FORMULA
    C25H26N4O
    CROSS REFERENCES
    98421 logo

    canSAR98421

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 398.21
    AlogP 4.27
    HBond donors 0
    HBond acceptors 5
    Atoms 56
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR98421.