canSAR73599
FEATURES
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NAMES
    SMILES
    O=C(N[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCN(C2(Cn3cncn3)CCCC2)CC1)C1Cc2ccccc2CN1
    InChI
    InChI=1S/C31H38ClN7O2/c32-26-9-7-23(8-10-26)17-28(36-29(40)27-18-24-5-1-2-6-25(24)19-34-27)30(41)37-13-15-38(16-14-37)31(11-3-4-12-31)20-39-22-33-21-35-39/h1-2,5-10,21-22,27-28,34H,3-4,11-20H2,(H,36,40)/t27?,28-/m1/s1
    MOLECULAR FORMULA
    C31H38ClN7O2
    CROSS REFERENCES
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    canSAR73599
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight575.28
    AlogP2.83
    HBond donors2
    HBond acceptors9
    Atoms79
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR73599.