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canSAR2089580
FEATURES
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NAMES
    SMILES
    CC(C)[C@H](NC(=O)[C@@H]1C[C@H](Oc2ccc(Br)cc2)CN1C(=O)OC(C)(C)C)C(=O)O
    InChI
    InChI=1S/C21H29BrN2O6/c1-12(2)17(19(26)27)23-18(25)16-10-15(29-14-8-6-13(22)7-9-14)11-24(16)20(28)30-21(3,4)5/h6-9,12,15-17H,10-11H2,1-5H3,(H,23,25)(H,26,27)/t15-,16-,17-/m0/s1
    MOLECULAR FORMULA
    C21H29BrN2O6
    CROSS REFERENCES
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    canSAR2089580

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.12
    AlogP 3.43
    HBond donors 2
    HBond acceptors 8
    Atoms 59
    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 canSAR2089580.