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canSAR1648771
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NAMES
    SMILES
    c1cn(CCCNc2ncnc3sc4c(c23)CCCCC4)cn1
    InChI
    InChI=1S/C17H21N5S/c1-2-5-13-14(6-3-1)23-17-15(13)16(20-11-21-17)19-7-4-9-22-10-8-18-12-22/h8,10-12H,1-7,9H2,(H,19,20,21)
    MOLECULAR FORMULA
    C17H21N5S
    CROSS REFERENCES
    1648771 logo

    canSAR1648771

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 327.15
    AlogP 3.66
    HBond donors 1
    HBond acceptors 5
    Atoms 44
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1648771.