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canSAR1499042
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NAMES
    SMILES
    CCN(CC)Cc1ccc(Nc2c3[nH+]c4ccccc4c-3n(C)c3ccccc23)cc1O
    InChI
    InChI=1S/C27H28N4O/c1-4-31(5-2)17-18-14-15-19(16-24(18)32)28-25-21-11-7-9-13-23(21)30(3)27-20-10-6-8-12-22(20)29-26(25)27/h6-16,28,32H,4-5,17H2,1-3H3/p+1
    MOLECULAR FORMULA
    C27H29N4O+
    CROSS REFERENCES
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    canSAR1499042

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 425.23
    AlogP 5.54
    HBond donors 3
    HBond acceptors 5
    Atoms 61
    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 canSAR1499042.