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canSAR200098
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NAMES
    SMILES
    CC(Nc1nccc(-n2cnc3ccccc32)n1)C1CN(C(=O)Nc2cccc3ccccc23)CCN1Cc1ccccc1
    InChI
    InChI=1S/C35H34N8O/c1-25(38-34-36-19-18-33(40-34)43-24-37-30-15-7-8-17-31(30)43)32-23-42(21-20-41(32)22-26-10-3-2-4-11-26)35(44)39-29-16-9-13-27-12-5-6-14-28(27)29/h2-19,24-25,32H,20-23H2,1H3,(H,39,44)(H,36,38,40)
    MOLECULAR FORMULA
    C35H34N8O
    CROSS REFERENCES
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    canSAR200098

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.29
    AlogP 6.19
    HBond donors 2
    HBond acceptors 9
    Atoms 78
    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 canSAR200098.