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canSAR1114162
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NAMES
    SMILES
    O=c1cc(-c2ccccc2)oc2cc(OCCN3CCN(CCNc4c5c(nc6ccccc46)CCCC5)CC3)ccc12
    InChI
    InChI=1S/C36H38N4O3/c41-33-25-34(26-8-2-1-3-9-26)43-35-24-27(14-15-30(33)35)42-23-22-40-20-18-39(19-21-40)17-16-37-36-28-10-4-6-12-31(28)38-32-13-7-5-11-29(32)36/h1-4,6,8-10,12,14-15,24-25H,5,7,11,13,16-23H2,(H,37,38)
    MOLECULAR FORMULA
    C36H38N4O3
    CROSS REFERENCES
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    canSAR1114162

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 574.29
    AlogP 6.00
    HBond donors 1
    HBond acceptors 7
    Atoms 81
    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 canSAR1114162.