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canSAR643237
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NAMES
    SMILES
    CCc1c(CNC2=NCCN2)c(CC)c(CNC2=NCCN2)c(CC)c1CNC1=NCCN1.Cl
    InChI
    InChI=1S/C24H39N9.ClH/c1-4-16-19(13-31-22-25-7-8-26-22)17(5-2)21(15-33-24-29-11-12-30-24)18(6-3)20(16)14-32-23-27-9-10-28-23;/h4-15H2,1-3H3,(H2,25,26,31)(H2,27,28,32)(H2,29,30,33);1H
    MOLECULAR FORMULA
    C24H40ClN9
    CROSS REFERENCES
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    canSAR643237

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 489.31
    AlogP 0.94
    HBond donors 6
    HBond acceptors 9
    Atoms 74
    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 canSAR643237.