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canSAR549427
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NAMES
    SMILES
    CCCCc1nc(Cl)c(CO)n1Cc1cccc2c1ccn2-c1ccccc1-c1nn[nH]n1.[Li+]
    InChI
    InChI=1S/C24H24ClN7O.Li/c1-2-3-11-22-26-23(25)21(15-33)32(22)14-16-7-6-10-19-17(16)12-13-31(19)20-9-5-4-8-18(20)24-27-29-30-28-24;/h4-10,12-13,33H,2-3,11,14-15H2,1H3,(H,27,28,29,30);/q;+1
    MOLECULAR FORMULA
    C24H24ClLiN7O+
    CROSS REFERENCES
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    canSAR549427

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 468.19
    AlogP 1.55
    HBond donors 2
    HBond acceptors 8
    Atoms 58
    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 canSAR549427.