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canSAR1059594
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NAMES
    SMILES
    Oc1ccc2c3c1OC1[C@H](OCc4cccc5ccccc45)CCC4(O)C(C2)N(CC2CC2)CCC314
    InChI
    InChI=1S/C31H33NO4/c33-24-11-10-21-16-26-31(34)13-12-25(35-18-22-6-3-5-20-4-1-2-7-23(20)22)29-30(31,27(21)28(24)36-29)14-15-32(26)17-19-8-9-19/h1-7,10-11,19,25-26,29,33-34H,8-9,12-18H2/t25-,26?,29?,30?,31?/m1/s1
    MOLECULAR FORMULA
    C31H33NO4
    CROSS REFERENCES
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    canSAR1059594

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.24
    AlogP 4.69
    HBond donors 2
    HBond acceptors 5
    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 canSAR1059594.