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canSAR547991
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NAMES
    SMILES
    C[C@H]1CN(Cc2cccc(-c3cc(CNC(=O)c4cccc(C[N+]5(C)CCNCC5)c4)ccc3F)c2)CCN1
    InChI
    InChI=1S/C32H40FN5O/c1-24-21-37(14-11-35-24)22-26-5-3-7-28(17-26)30-19-25(9-10-31(30)33)20-36-32(39)29-8-4-6-27(18-29)23-38(2)15-12-34-13-16-38/h3-10,17-19,24,34-35H,11-16,20-23H2,1-2H3/p+1/t24-/m0/s1
    MOLECULAR FORMULA
    C32H41FN5O+
    CROSS REFERENCES
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    canSAR547991

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.33
    AlogP 3.77
    HBond donors 3
    HBond acceptors 6
    Atoms 80
    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 canSAR547991.