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canSAR1688187
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NAMES
    SMILES
    Cn1cnc2cc(-c3ccc(C(C)(C)O)nc3)nc(NCc3cnc[nH]3)c2c1=O
    InChI
    InChI=1S/C20H21N7O2/c1-20(2,29)16-5-4-12(7-22-16)14-6-15-17(19(28)27(3)11-25-15)18(26-14)23-9-13-8-21-10-24-13/h4-8,10-11,29H,9H2,1-3H3,(H,21,24)(H,23,26)
    MOLECULAR FORMULA
    C20H21N7O2
    CROSS REFERENCES
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    canSAR1688187

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 391.18
    AlogP 1.95
    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 canSAR1688187.