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canSAR1509592
FEATURES
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(N=Cc4c(O)n(-c5ccc(C)cc5)c(=O)[nH]c4=O)cc3F)ccnc2cc1OCCCN1CCCCC1
    InChI
    InChI=1S/C36H36FN5O6/c1-23-7-10-25(11-8-23)42-35(44)27(34(43)40-36(42)45)22-39-24-9-12-31(28(37)19-24)48-30-13-14-38-29-21-33(32(46-2)20-26(29)30)47-18-6-17-41-15-4-3-5-16-41/h7-14,19-22,44H,3-6,15-18H2,1-2H3,(H,40,43,45)
    MOLECULAR FORMULA
    C36H36FN5O6
    CROSS REFERENCES
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    canSAR1509592

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 653.26
    AlogP 6.03
    HBond donors 2
    HBond acceptors 11
    Atoms 84
    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 canSAR1509592.