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canSAR1141426
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NAMES
    SMILES
    C[C@](O)(c1ccccc1)N1CCC[C@H]1C(=O)Nc1ccc(C#Cc2ccc(NC(=O)[C@@H]3CCCN3[C@@](C)(O)c3ccccc3)cc2)cc1
    InChI
    InChI=1S/C40H42N4O4/c1-39(47,31-11-5-3-6-12-31)43-27-9-15-35(43)37(45)41-33-23-19-29(20-24-33)17-18-30-21-25-34(26-22-30)42-38(46)36-16-10-28-44(36)40(2,48)32-13-7-4-8-14-32/h3-8,11-14,19-26,35-36,47-48H,9-10,15-16,27-28H2,1-2H3,(H,41,45)(H,42,46)/t35-,36-,39-,40-/m0/s1
    MOLECULAR FORMULA
    C40H42N4O4
    CROSS REFERENCES
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    canSAR1141426

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 642.32
    AlogP 5.62
    HBond donors 4
    HBond acceptors 8
    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 canSAR1141426.