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canSAR7801
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NAMES
    SMILES
    CCCc1nc2c(C)ccnc2n1Cc1ccc(OC(C(=O)O)c2ccccc2C)cc1
    InChI
    InChI=1S/C26H27N3O3/c1-4-7-22-28-23-18(3)14-15-27-25(23)29(22)16-19-10-12-20(13-11-19)32-24(26(30)31)21-9-6-5-8-17(21)2/h5-6,8-15,24H,4,7,16H2,1-3H3,(H,30,31)
    MOLECULAR FORMULA
    C26H27N3O3
    CROSS REFERENCES
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    canSAR7801

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.21
    AlogP 5.25
    HBond donors 1
    HBond acceptors 6
    Atoms 59
    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 canSAR7801.