canSAR1808550
FEATURES
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NAMES
    SMILES
    O=C(C1=C[C@@H](c2ccccc2)C[C@@H](OCCCCO)O1)N1CCN(Cc2ccc3c(c2)OCO3)CC1
    InChI
    InChI=1S/C28H34N2O6/c31-14-4-5-15-33-27-18-23(22-6-2-1-3-7-22)17-26(36-27)28(32)30-12-10-29(11-13-30)19-21-8-9-24-25(16-21)35-20-34-24/h1-3,6-9,16-17,23,27,31H,4-5,10-15,18-20H2/t23-,27+/m1/s1
    MOLECULAR FORMULA
    C28H34N2O6
    CROSS REFERENCES
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    canSAR1808550
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight494.24
    AlogP3.26
    HBond donors1
    HBond acceptors8
    Atoms70
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1808550.