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canSAR1122613
FEATURES
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NAMES
    SMILES
    COc1cccc(-c2cc(C(=O)Nc3ccc(Oc4ccnc5cc(OCCCN6CCCC6)c(OC)cc45)c(F)c3)c3ccccc3n2)c1
    InChI
    InChI=1S/C40H37FN4O5/c1-47-28-10-7-9-26(21-28)34-23-30(29-11-3-4-12-33(29)44-34)40(46)43-27-13-14-37(32(41)22-27)50-36-15-16-42-35-25-39(38(48-2)24-31(35)36)49-20-8-19-45-17-5-6-18-45/h3-4,7,9-16,21-25H,5-6,8,17-20H2,1-2H3,(H,43,46)
    MOLECULAR FORMULA
    C40H37FN4O5
    CROSS REFERENCES
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    canSAR1122613

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 672.27
    AlogP 8.52
    HBond donors 1
    HBond acceptors 9
    Atoms 87
    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 canSAR1122613.