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canSAR1129080
FEATURES
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NAMES
    SMILES
    O=C(CCc1cc2c(cc1[N+](=O)[O-])OCO2)N1CCN(c2ccc(F)cc2)CC1
    InChI
    InChI=1S/C20H20FN3O5/c21-15-2-4-16(5-3-15)22-7-9-23(10-8-22)20(25)6-1-14-11-18-19(29-13-28-18)12-17(14)24(26)27/h2-5,11-12H,1,6-10,13H2
    MOLECULAR FORMULA
    C20H20FN3O5
    CROSS REFERENCES
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    canSAR1129080

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.14
    AlogP 2.74
    HBond donors 0
    HBond acceptors 8
    Atoms 49
    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 canSAR1129080.