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canSAR1127382
FEATURES
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NAMES
    SMILES
    COc1ccccc1N1CCN(C(=O)CCc2cc3c(cc2[N+](=O)[O-])OCO3)CC1
    InChI
    InChI=1S/C21H23N3O6/c1-28-18-5-3-2-4-16(18)22-8-10-23(11-9-22)21(25)7-6-15-12-19-20(30-14-29-19)13-17(15)24(26)27/h2-5,12-13H,6-11,14H2,1H3
    MOLECULAR FORMULA
    C21H23N3O6
    CROSS REFERENCES
    1127382 logo

    canSAR1127382

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 413.16
    AlogP 2.61
    HBond donors 0
    HBond acceptors 9
    Atoms 53
    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 canSAR1127382.