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canSAR1447180
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NAMES
    SMILES
    CN(C)c1ccc(-c2nnn(CC(=O)Nc3ccccc3N3CCOCC3)n2)cc1
    InChI
    InChI=1S/C21H25N7O2/c1-26(2)17-9-7-16(8-10-17)21-23-25-28(24-21)15-20(29)22-18-5-3-4-6-19(18)27-11-13-30-14-12-27/h3-10H,11-15H2,1-2H3,(H,22,29)
    MOLECULAR FORMULA
    C21H25N7O2
    CROSS REFERENCES
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    canSAR1447180

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 407.21
    AlogP 1.88
    HBond donors 1
    HBond acceptors 9
    Atoms 55
    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 canSAR1447180.