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canSAR201539
FEATURES
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NAMES
    SMILES
    CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)c1nnc(Cc2ccccc2)n1CC(c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C37H38N6O/c1-37(2,38)36(44)40-33(23-29-24-39-32-21-13-12-20-30(29)32)35-42-41-34(22-26-14-6-3-7-15-26)43(35)25-31(27-16-8-4-9-17-27)28-18-10-5-11-19-28/h3-21,24,31,33,39H,22-23,25,38H2,1-2H3,(H,40,44)/t33-/m1/s1
    MOLECULAR FORMULA
    C37H38N6O
    CROSS REFERENCES
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    canSAR201539

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 582.31
    AlogP 6.32
    HBond donors 4
    HBond acceptors 7
    Atoms 82
    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 canSAR201539.