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canSAR1129647
FEATURES
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(NC(=O)c4nn(-c5ccccc5OC(F)(F)F)c5ccccc5c4=O)cc3F)ccnc2cc1OCCCN1CCOCC1
    InChI
    InChI=1S/C39H33F4N5O7/c1-51-34-22-26-28(23-35(34)53-18-6-15-47-16-19-52-20-17-47)44-14-13-31(26)54-32-12-11-24(21-27(32)40)45-38(50)36-37(49)25-7-2-3-8-29(25)48(46-36)30-9-4-5-10-33(30)55-39(41,42)43/h2-5,7-14,21-23H,6,15-20H2,1H3,(H,45,50)
    MOLECULAR FORMULA
    C39H33F4N5O7
    CROSS REFERENCES
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    canSAR1129647

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 759.23
    AlogP 7.13
    HBond donors 1
    HBond acceptors 12
    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 canSAR1129647.