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canSAR832086
FEATURES
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NAMES
    SMILES
    C[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)NCNC(=O)C12CC3CC(CC(C3)C1)C2
    InChI
    InChI=1S/C33H43N5O5/c1-20(37-30(41)27(34)14-22-7-9-26(39)10-8-22)29(40)38-28(15-21-5-3-2-4-6-21)31(42)35-19-36-32(43)33-16-23-11-24(17-33)13-25(12-23)18-33/h2-10,20,23-25,27-28,39H,11-19,34H2,1H3,(H,35,42)(H,36,43)(H,37,41)(H,38,40)/t20-,23?,24?,25?,27+,28+,33?/m1/s1
    MOLECULAR FORMULA
    C33H43N5O5
    CROSS REFERENCES
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    canSAR832086

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 589.33
    AlogP 1.90
    HBond donors 7
    HBond acceptors 10
    Atoms 86
    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 canSAR832086.