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canSAR1108813
FEATURES
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(NC(=O)c4cc(-c5cccc(Cl)c5)nc5ccccc45)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
    InChI
    InChI=1S/C41H38ClFN4O4/c1-26-14-18-47(19-15-26)17-6-20-50-40-25-36-32(24-39(40)49-2)37(13-16-44-36)51-38-12-11-29(22-33(38)43)45-41(48)31-23-35(27-7-5-8-28(42)21-27)46-34-10-4-3-9-30(31)34/h3-5,7-13,16,21-26H,6,14-15,17-20H2,1-2H3,(H,45,48)
    MOLECULAR FORMULA
    C41H38ClFN4O4
    CROSS REFERENCES
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    canSAR1108813

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 704.26
    AlogP 9.80
    HBond donors 1
    HBond acceptors 8
    Atoms 89
    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 canSAR1108813.