canSAR1417601
FEATURES
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NAMES
    SMILES
    CCOc1ccc(CCN2C(=O)C(=O)N([C@@H](Cc3ccccc3)CN3CCC[C@H]3CN3C(=O)C(=O)NC[C@@H]3CC(C)C)C[C@@H]2Cc2ccc(O)cc2)cc1
    InChI
    InChI=1S/C43H55N5O6/c1-4-54-39-18-14-31(15-19-39)20-22-46-37(25-33-12-16-38(49)17-13-33)29-48(43(53)42(46)52)36(24-32-9-6-5-7-10-32)27-45-21-8-11-34(45)28-47-35(23-30(2)3)26-44-40(50)41(47)51/h5-7,9-10,12-19,30,34-37,49H,4,8,11,20-29H2,1-3H3,(H,44,50)/t34-,35-,36-,37-/m0/s1
    MOLECULAR FORMULA
    C43H55N5O6
    CROSS REFERENCES
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    canSAR1417601
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight737.42
    AlogP4.06
    HBond donors2
    HBond acceptors11
    Atoms109
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1417601.