canSAR1832140
FEATURES
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NAMES
    SMILES
    O=C(N[C@H](Cc1ccc2ccccc2c1)C(=O)N[C@@H](CO)Cc1ccc2ccccc2c1)C1CC[NH2+]CC1
    InChI
    InChI=1S/C32H35N3O3/c36-21-29(19-22-9-11-24-5-1-3-7-27(24)17-22)34-32(38)30(35-31(37)26-13-15-33-16-14-26)20-23-10-12-25-6-2-4-8-28(25)18-23/h1-12,17-18,26,29-30,33,36H,13-16,19-21H2,(H,34,38)(H,35,37)/p+1/t29-,30-/m1/s1
    MOLECULAR FORMULA
    C32H36N3O3+
    CROSS REFERENCES
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    canSAR1832140
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight510.28
    AlogP2.71
    HBond donors5
    HBond acceptors6
    Atoms74
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1832140.