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canSAR1129217
FEATURES
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(NC(=O)c4cc(-c5ccccc5)nc5ccccc45)cc3F)ccnc2cc1OCCCN1CCCCC1
    InChI
    InChI=1S/C40H37FN4O4/c1-47-38-25-31-35(26-39(38)48-22-10-21-45-19-8-3-9-20-45)42-18-17-36(31)49-37-16-15-28(23-32(37)41)43-40(46)30-24-34(27-11-4-2-5-12-27)44-33-14-7-6-13-29(30)33/h2,4-7,11-18,23-26H,3,8-10,19-22H2,1H3,(H,43,46)
    MOLECULAR FORMULA
    C40H37FN4O4
    CROSS REFERENCES
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    canSAR1129217

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 656.28
    AlogP 8.90
    HBond donors 1
    HBond acceptors 8
    Atoms 86
    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 canSAR1129217.