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canSAR1617890
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NAMES
    SMILES
    C=CC[C@@H](CC(=O)N[C@@H](CO)Cc1ccccc1)C(=O)N[C@H](COC(=O)[C@H](CC=C)CC(=O)OC(C)(C)C)Cc1ccccc1
    InChI
    InChI=1S/C36H48N2O7/c1-6-14-28(22-32(40)37-30(24-39)20-26-16-10-8-11-17-26)34(42)38-31(21-27-18-12-9-13-19-27)25-44-35(43)29(15-7-2)23-33(41)45-36(3,4)5/h6-13,16-19,28-31,39H,1-2,14-15,20-25H2,3-5H3,(H,37,40)(H,38,42)/t28-,29+,30+,31-/m0/s1
    MOLECULAR FORMULA
    C36H48N2O7
    CROSS REFERENCES
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    canSAR1617890

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 620.35
    AlogP 4.48
    HBond donors 3
    HBond acceptors 9
    Atoms 93
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1617890.