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canSAR784120
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N[C@H](/C=C/S(C)(=O)=O)CC(=O)O
    InChI
    InChI=1S/C19H26N2O7S/c1-13(2)17(21-19(25)28-12-14-7-5-4-6-8-14)18(24)20-15(11-16(22)23)9-10-29(3,26)27/h4-10,13,15,17H,11-12H2,1-3H3,(H,20,24)(H,21,25)(H,22,23)/b10-9+/t15-,17+/m1/s1
    MOLECULAR FORMULA
    C19H26N2O7S
    CROSS REFERENCES
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    canSAR784120

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.15
    AlogP 1.46
    HBond donors 3
    HBond acceptors 9
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR784120.