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canSAR1864328
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NAMES
    SMILES
    COc1cc2c(Oc3ccc(NC(=O)NN=Cc4ccccc4F)cc3F)ccnc2cc1OCCCN1CCC(C)CC1
    InChI
    InChI=1S/C33H35F2N5O4/c1-22-11-15-40(16-12-22)14-5-17-43-32-20-28-25(19-31(32)42-2)29(10-13-36-28)44-30-9-8-24(18-27(30)35)38-33(41)39-37-21-23-6-3-4-7-26(23)34/h3-4,6-10,13,18-22H,5,11-12,14-17H2,1-2H3,(H2,38,39,41)
    MOLECULAR FORMULA
    C33H35F2N5O4
    CROSS REFERENCES
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    canSAR1864328

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 603.27
    AlogP 6.97
    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 canSAR1864328.