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canSAR658171
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NAMES
    SMILES
    Clc1ccc2c(NCCNc3nc(NCCCN4CCOCC4)nc(N4CCOCC4)n3)ccnc2c1
    InChI
    InChI=1S/C25H34ClN9O2/c26-19-2-3-20-21(4-6-27-22(20)18-19)28-7-8-30-24-31-23(29-5-1-9-34-10-14-36-15-11-34)32-25(33-24)35-12-16-37-17-13-35/h2-4,6,18H,1,5,7-17H2,(H,27,28)(H2,29,30,31,32,33)
    MOLECULAR FORMULA
    C25H34ClN9O2
    CROSS REFERENCES
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    canSAR658171

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 527.25
    AlogP 2.57
    HBond donors 3
    HBond acceptors 11
    Atoms 71
    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 canSAR658171.