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canSAR1130436
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NAMES
    SMILES
    COc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCCN6CCCCC6)c(OC)cc45)c(F)c3)c3cc(F)ccc3n2)c1
    InChI
    InChI=1S/C41H38F2N4O5/c1-49-29-9-6-8-26(20-29)35-23-31(30-21-27(42)10-12-34(30)46-35)41(48)45-28-11-13-38(33(43)22-28)52-37-14-15-44-36-25-40(39(50-2)24-32(36)37)51-19-7-18-47-16-4-3-5-17-47/h6,8-15,20-25H,3-5,7,16-19H2,1-2H3,(H,45,48)
    MOLECULAR FORMULA
    C41H38F2N4O5
    CROSS REFERENCES
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    canSAR1130436

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 704.28
    AlogP 9.04
    HBond donors 1
    HBond acceptors 9
    Atoms 90
    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 canSAR1130436.