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canSAR1717527
FEATURES
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NAMES
    SMILES
    CCCCCCCC(=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/C19H27BrN2O7/c1-2-3-4-5-6-7-14(24)29-16-15(25)13(11-23)28-18(16)22-10-12(8-9-20)17(26)21-19(22)27/h8-10,13,15-16,18,23,25H,2-7,11H2,1H3,(H,21,26,27)
    MOLECULAR FORMULA
    C19H27BrN2O7
    CROSS REFERENCES
    1717527 logo

    canSAR1717527

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.10
    AlogP 1.43
    HBond donors 3
    HBond acceptors 9
    Atoms 56
    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 canSAR1717527.