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canSAR1125373
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NAMES
    SMILES
    CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(-c2cnccn2)cc1
    InChI
    InChI=1S/C31H31N3O4/c1-2-16-38-29-13-8-23(18-26(31(36)37)17-22-6-4-3-5-7-22)19-27(29)20-34-30(35)25-11-9-24(10-12-25)28-21-32-14-15-33-28/h3-15,19,21,26H,2,16-18,20H2,1H3,(H,34,35)(H,36,37)/t26-/m1/s1
    MOLECULAR FORMULA
    C31H31N3O4
    CROSS REFERENCES
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    canSAR1125373

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 509.23
    AlogP 5.35
    HBond donors 2
    HBond acceptors 7
    Atoms 69
    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 canSAR1125373.