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canSAR56357
FEATURES
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NAMES
    SMILES
    CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](CC(=O)O)C(=O)O)cc2Br)ccc1O
    InChI
    InChI=1S/C21H21Br2NO7/c1-10(2)13-8-12(3-4-17(13)25)31-20-14(22)5-11(6-15(20)23)7-18(26)24-16(21(29)30)9-19(27)28/h3-6,8,10,16,25H,7,9H2,1-2H3,(H,24,26)(H,27,28)(H,29,30)/t16-/m1/s1
    MOLECULAR FORMULA
    C21H21Br2NO7
    CROSS REFERENCES
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    canSAR56357

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 556.97
    AlogP 4.42
    HBond donors 4
    HBond acceptors 8
    Atoms 52
    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 canSAR56357.