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canSAR1113961
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NAMES
    SMILES
    O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12
    InChI
    InChI=1S/C37H40N4O3/c42-34-26-35(27-9-2-1-3-10-27)44-36-25-28(15-16-31(34)36)43-24-8-18-40-20-22-41(23-21-40)19-17-38-37-29-11-4-6-13-32(29)39-33-14-7-5-12-30(33)37/h1-4,6,9-11,13,15-16,25-26H,5,7-8,12,14,17-24H2,(H,38,39)
    MOLECULAR FORMULA
    C37H40N4O3
    CROSS REFERENCES
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    canSAR1113961

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 588.31
    AlogP 6.39
    HBond donors 1
    HBond acceptors 7
    Atoms 84
    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 canSAR1113961.