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canSAR833899
FEATURES
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NAMES
    SMILES
    C[C@H](C(=O)NCCC[C@H](NC(=O)OCc1ccccc1)C(=O)O)[C@H]1CC[C@H]2C3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C
    InChI
    InChI=1S/C35H50N2O6/c1-22(31(39)36-19-7-10-30(32(40)41)37-33(42)43-21-23-8-5-4-6-9-23)27-13-14-28-26-12-11-24-20-25(38)15-17-34(24,2)29(26)16-18-35(27,28)3/h4-6,8-9,11,22,25-30,38H,7,10,12-21H2,1-3H3,(H,36,39)(H,37,42)(H,40,41)/t22-,25-,26?,27+,28-,29-,30-,34-,35+/m0/s1
    MOLECULAR FORMULA
    C35H50N2O6
    CROSS REFERENCES
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    canSAR833899

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 594.37
    AlogP 5.84
    HBond donors 4
    HBond acceptors 8
    Atoms 93
    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 canSAR833899.