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canSAR1431509
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NAMES
    SMILES
    Nc1ccc(-c2ccncc2)cc1NC(=O)c1cnc2c(c1)cc(C1CC1)n2CCN1CCOCC1
    InChI
    InChI=1S/C28H30N6O2/c29-24-4-3-21(19-5-7-30-8-6-19)16-25(24)32-28(35)23-15-22-17-26(20-1-2-20)34(27(22)31-18-23)10-9-33-11-13-36-14-12-33/h3-8,15-18,20H,1-2,9-14,29H2,(H,32,35)
    MOLECULAR FORMULA
    C28H30N6O2
    CROSS REFERENCES
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    canSAR1431509

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 482.24
    AlogP 4.14
    HBond donors 3
    HBond acceptors 8
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1431509.