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canSAR1977891
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NAMES
    SMILES
    CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCCN5CC[N+](C)([O-])CC5)ccn34)c12
    InChI
    InChI=1S/C31H36N8O3/c1-4-25-30-26(9-6-10-27(30)38(35-25)21-23-8-5-7-22(2)33-23)34-31(40)28-20-32-29-19-24(11-12-37(28)29)42-18-15-36-13-16-39(3,41)17-14-36/h5-12,19-20H,4,13-18,21H2,1-3H3,(H,34,40)
    MOLECULAR FORMULA
    C31H36N8O3
    CROSS REFERENCES
    1977891 logo

    canSAR1977891

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 568.29
    AlogP 3.89
    HBond donors 1
    HBond acceptors 11
    Atoms 78
    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 canSAR1977891.