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canSAR1864056
FEATURES
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NAMES
    SMILES
    CC(C)CNc1nc(Oc2ccc(=O)n(-c3ccccc3)n2)nc(N2CCOCC2)n1
    InChI
    InChI=1S/C21H25N7O3/c1-15(2)14-22-19-23-20(27-10-12-30-13-11-27)25-21(24-19)31-17-8-9-18(29)28(26-17)16-6-4-3-5-7-16/h3-9,15H,10-14H2,1-2H3,(H,22,23,24,25)
    MOLECULAR FORMULA
    C21H25N7O3
    CROSS REFERENCES
    1864056 logo

    canSAR1864056

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 423.20
    AlogP 2.11
    HBond donors 1
    HBond acceptors 10
    Atoms 56
    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 canSAR1864056.