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canSAR1130427
FEATURES
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(NC(=O)c4cc(-c5ccc(F)cc5)nc5ccccc45)cc3F)ccnc2cc1OCCCN1CCCCC1
    InChI
    InChI=1S/C40H36F2N4O4/c1-48-38-24-31-35(25-39(38)49-21-7-20-46-18-5-2-6-19-46)43-17-16-36(31)50-37-15-14-28(22-32(37)42)44-40(47)30-23-34(26-10-12-27(41)13-11-26)45-33-9-4-3-8-29(30)33/h3-4,8-17,22-25H,2,5-7,18-21H2,1H3,(H,44,47)
    MOLECULAR FORMULA
    C40H36F2N4O4
    CROSS REFERENCES
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    canSAR1130427

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 674.27
    AlogP 9.04
    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 canSAR1130427.