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canSAR1618532
FEATURES
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(NC(=O)NN=Cc4ccccc4)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
    InChI
    InChI=1S/C33H36FN5O4/c1-23-12-16-39(17-13-23)15-6-18-42-32-21-28-26(20-31(32)41-2)29(11-14-35-28)43-30-10-9-25(19-27(30)34)37-33(40)38-36-22-24-7-4-3-5-8-24/h3-5,7-11,14,19-23H,6,12-13,15-18H2,1-2H3,(H2,37,38,40)
    MOLECULAR FORMULA
    C33H36FN5O4
    CROSS REFERENCES
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    canSAR1618532

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 585.28
    AlogP 6.83
    HBond donors 2
    HBond acceptors 9
    Atoms 79
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1618532.