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canSAR2016037
FEATURES
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NAMES
    SMILES
    O=C(Cn1cnc2c(NCc3ccccc3)ncnc21)NCCCN1CCCC1=O
    InChI
    InChI=1S/C21H25N7O2/c29-17(22-9-5-11-27-10-4-8-18(27)30)13-28-15-26-19-20(24-14-25-21(19)28)23-12-16-6-2-1-3-7-16/h1-3,6-7,14-15H,4-5,8-13H2,(H,22,29)(H,23,24,25)
    MOLECULAR FORMULA
    C21H25N7O2
    CROSS REFERENCES
    2016037 logo

    canSAR2016037

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.21
    AlogP 1.57
    HBond donors 2
    HBond acceptors 9
    Atoms 55
    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 canSAR2016037.