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canSAR1831324
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NAMES
    SMILES
    O[C@@H]1CCN(c2ccc(Nc3ncc4c5ccncc5n([C@H]5CCOC5)c4n3)nn2)C1
    InChI
    InChI=1S/C21H22N8O2/c30-14-4-7-28(11-14)19-2-1-18(26-27-19)24-21-23-9-16-15-3-6-22-10-17(15)29(20(16)25-21)13-5-8-31-12-13/h1-3,6,9-10,13-14,30H,4-5,7-8,11-12H2,(H,23,24,25,26)/t13-,14+/m0/s1
    MOLECULAR FORMULA
    C21H22N8O2
    CROSS REFERENCES
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    canSAR1831324

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.19
    AlogP 2.05
    HBond donors 2
    HBond acceptors 10
    Atoms 53
    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 canSAR1831324.