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canSAR1126988
FEATURES
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NAMES
    SMILES
    COc1ccc(CC2c3cc(OCCN4CCCCC4)c(OC)cc3CCN2CC(=O)NCc2ccccc2)cc1OC
    InChI
    InChI=1S/C35H45N3O5/c1-40-31-13-12-27(21-32(31)41-2)20-30-29-23-34(43-19-18-37-15-8-5-9-16-37)33(42-3)22-28(29)14-17-38(30)25-35(39)36-24-26-10-6-4-7-11-26/h4,6-7,10-13,21-23,30H,5,8-9,14-20,24-25H2,1-3H3,(H,36,39)
    MOLECULAR FORMULA
    C35H45N3O5
    CROSS REFERENCES
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    canSAR1126988

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 587.34
    AlogP 5.04
    HBond donors 1
    HBond acceptors 8
    Atoms 88
    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 canSAR1126988.