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canSAR126627
FEATURES
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NAMES
    SMILES
    CCCCCCCCCC(=O)O[C@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cc(/C=C/Br)c(=O)[nH]c1=O
    InChI
    InChI=1S/C21H31BrN2O7/c1-2-3-4-5-6-7-8-9-16(26)31-18-17(27)15(13-25)30-20(18)24-12-14(10-11-22)19(28)23-21(24)29/h10-12,15,17-18,20,25,27H,2-9,13H2,1H3,(H,23,28,29)/b11-10+/t15-,17-,18+,20-/m1/s1
    MOLECULAR FORMULA
    C21H31BrN2O7
    CROSS REFERENCES
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    canSAR126627

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 502.13
    AlogP 2.21
    HBond donors 3
    HBond acceptors 9
    Atoms 62
    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 canSAR126627.