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canSAR1129061
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NAMES
    SMILES
    CC(=O)N1CCC(n2cc(-c3cnc(N)c4oc(-c5cn[nH]c5)cc34)cn2)CC1
    InChI
    InChI=1S/C20H21N7O2/c1-12(28)26-4-2-15(3-5-26)27-11-14(9-25-27)17-10-22-20(21)19-16(17)6-18(29-19)13-7-23-24-8-13/h6-11,15H,2-5H2,1H3,(H2,21,22)(H,23,24)
    MOLECULAR FORMULA
    C20H21N7O2
    CROSS REFERENCES
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    canSAR1129061

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.18
    AlogP 2.85
    HBond donors 3
    HBond acceptors 9
    Atoms 50
    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 canSAR1129061.