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canSAR1145879
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NAMES
    SMILES
    NC1CCC(Nc2nc(NCc3cc(Cl)ccc3O)c3ncn(C4CCCC4)c3n2)CC1
    InChI
    InChI=1S/C23H30ClN7O/c24-15-5-10-19(32)14(11-15)12-26-21-20-22(31(13-27-20)18-3-1-2-4-18)30-23(29-21)28-17-8-6-16(25)7-9-17/h5,10-11,13,16-18,32H,1-4,6-9,12,25H2,(H2,26,28,29,30)
    MOLECULAR FORMULA
    C23H30ClN7O
    CROSS REFERENCES
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    canSAR1145879

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.22
    AlogP 4.59
    HBond donors 5
    HBond acceptors 8
    Atoms 62
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1145879.