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canSAR1686394
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NAMES
    SMILES
    COc1ccc2c3c1OC1[C@H]4OC[C@@]4(CCCCc4ccccc4)CC4C(C2)N(CC2CC2)CCC341.O=C(O)C(O)C(O)C(=O)O
    InChI
    InChI=1S/C32H39NO3.C4H6O6/c1-34-26-13-12-23-17-25-24-18-31(14-6-5-9-21-7-3-2-4-8-21)20-35-29(31)30-32(24,27(23)28(26)36-30)15-16-33(25)19-22-10-11-22;5-1(3(7)8)2(6)4(9)10/h2-4,7-8,12-13,22,24-25,29-30H,5-6,9-11,14-20H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t24?,25?,29-,30?,31-,32?;/m1./s1
    MOLECULAR FORMULA
    C36H45NO9
    CROSS REFERENCES
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    canSAR1686394

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 635.31
    AlogP 3.43
    HBond donors 4
    HBond acceptors 10
    Atoms 91
    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 canSAR1686394.