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canSAR1205391
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NAMES
    SMILES
    COc1ccc(CN2CCN(c3ccc(CCNCC(O)c4ccc(O)c(CO)c4)cc3)CC2)cc1
    InChI
    InChI=1S/C29H37N3O4/c1-36-27-9-4-23(5-10-27)20-31-14-16-32(17-15-31)26-7-2-22(3-8-26)12-13-30-19-29(35)24-6-11-28(34)25(18-24)21-33/h2-11,18,29-30,33-35H,12-17,19-21H2,1H3
    MOLECULAR FORMULA
    C29H37N3O4
    CROSS REFERENCES
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    canSAR1205391

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.28
    AlogP 3.08
    HBond donors 4
    HBond acceptors 7
    Atoms 73
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1205391.