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canSAR1618941
FEATURES
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NAMES
    SMILES
    CC(=N)N1CCC(Oc2ccc3[nH]c(C)[n+](Cc4ccc5ccc(C(=N)N)cc5c4)c3c2)CC1
    InChI
    InChI=1S/C27H30N6O/c1-17(28)32-11-9-23(10-12-32)34-24-7-8-25-26(15-24)33(18(2)31-25)16-19-3-4-20-5-6-21(27(29)30)14-22(20)13-19/h3-8,13-15,23,28H,9-12,16H2,1-2H3,(H3,29,30)/p+1
    MOLECULAR FORMULA
    C27H31N6O+
    CROSS REFERENCES
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    canSAR1618941

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 455.26
    AlogP 4.09
    HBond donors 5
    HBond acceptors 7
    Atoms 65
    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 canSAR1618941.