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canSAR1990776
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@H]1C[C@@H](Oc2cccc3ccc(-c4nnc5ccccn45)nc23)CCN1
    InChI
    InChI=1S/C22H21N5O3/c1-29-22(28)17-13-15(10-11-23-17)30-18-6-4-5-14-8-9-16(24-20(14)18)21-26-25-19-7-2-3-12-27(19)21/h2-9,12,15,17,23H,10-11,13H2,1H3/t15-,17-/m0/s1
    MOLECULAR FORMULA
    C22H21N5O3
    CROSS REFERENCES
    1990776 logo

    canSAR1990776

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.16
    AlogP 2.62
    HBond donors 1
    HBond acceptors 8
    Atoms 51
    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 canSAR1990776.