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canSAR387961
FEATURES
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NAMES
    SMILES
    CC1(C)CCC[C@H](NC(=O)[C@H](Cc2ccccc2)CN(O)C=O)C(=O)N1CC(=O)O
    InChI
    InChI=1S/C21H29N3O6/c1-21(2)10-6-9-17(20(29)24(21)13-18(26)27)22-19(28)16(12-23(30)14-25)11-15-7-4-3-5-8-15/h3-5,7-8,14,16-17,30H,6,9-13H2,1-2H3,(H,22,28)(H,26,27)/t16-,17+/m1/s1
    MOLECULAR FORMULA
    C21H29N3O6
    CROSS REFERENCES
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    canSAR387961

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 419.21
    AlogP 1.05
    HBond donors 3
    HBond acceptors 9
    Atoms 59
    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 canSAR387961.