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canSAR782976
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NAMES
    SMILES
    C[C@H]([C@@H](c1ccc2cc(OCC3(C(=O)O)CCOCC3)ccc2c1)n1ccnc1)N(C)C
    InChI
    InChI=1S/C25H31N3O4/c1-18(27(2)3)23(28-11-10-26-17-28)21-5-4-20-15-22(7-6-19(20)14-21)32-16-25(24(29)30)8-12-31-13-9-25/h4-7,10-11,14-15,17-18,23H,8-9,12-13,16H2,1-3H3,(H,29,30)/t18-,23+/m1/s1
    MOLECULAR FORMULA
    C25H31N3O4
    CROSS REFERENCES
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    canSAR782976

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.23
    AlogP 3.84
    HBond donors 1
    HBond acceptors 7
    Atoms 63
    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 canSAR782976.