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canSAR1688050
FEATURES
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NAMES
    SMILES
    O=C1CC[C@@]2(OCCCc3ccccc3)C3Cc4ccc(O)c5c4[C@@]2(CCN3CCc2ccccc2)[C@H]1O5
    InChI
    InChI=1S/C33H35NO4/c35-26-14-13-25-22-28-33(37-21-7-12-23-8-3-1-4-9-23)17-15-27(36)31-32(33,29(25)30(26)38-31)18-20-34(28)19-16-24-10-5-2-6-11-24/h1-6,8-11,13-14,28,31,35H,7,12,15-22H2/t28?,31-,32-,33+/m0/s1
    MOLECULAR FORMULA
    C33H35NO4
    CROSS REFERENCES
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    canSAR1688050

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 509.26
    AlogP 5.02
    HBond donors 1
    HBond acceptors 5
    Atoms 73
    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 canSAR1688050.