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canSAR1108463
FEATURES
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NAMES
    SMILES
    O=c1cc(-c2ccccc2)oc2cc(OCCCN3CCN(CCCNc4c5c(nc6ccccc46)CCCC5)CC3)cc(O)c12
    InChI
    InChI=1S/C38H42N4O4/c43-33-24-28(25-36-37(33)34(44)26-35(46-36)27-10-2-1-3-11-27)45-23-9-18-42-21-19-41(20-22-42)17-8-16-39-38-29-12-4-6-14-31(29)40-32-15-7-5-13-30(32)38/h1-4,6,10-12,14,24-26,43H,5,7-9,13,15-23H2,(H,39,40)
    MOLECULAR FORMULA
    C38H42N4O4
    CROSS REFERENCES
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    canSAR1108463

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 618.32
    AlogP 6.48
    HBond donors 2
    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 canSAR1108463.