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canSAR1111439
FEATURES
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NAMES
    SMILES
    NCCCOc1cc(OCCCN)cc(-c2cc(NC(=O)c3ccc(-c4ccccc4)cc3)cc(-c3cc(OCCCN)cc(OCCCN)c3)c2)c1
    InChI
    InChI=1S/C43H51N5O5/c44-14-4-18-50-39-25-36(26-40(29-39)51-19-5-15-45)34-22-35(37-27-41(52-20-6-16-46)30-42(28-37)53-21-7-17-47)24-38(23-34)48-43(49)33-12-10-32(11-13-33)31-8-2-1-3-9-31/h1-3,8-13,22-30H,4-7,14-21,44-47H2,(H,48,49)
    MOLECULAR FORMULA
    C43H51N5O5
    CROSS REFERENCES
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    canSAR1111439

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 717.39
    AlogP 6.85
    HBond donors 9
    HBond acceptors 10
    Atoms 104
    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 canSAR1111439.