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canSAR1156113
FEATURES
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NAMES
    SMILES
    C[C@H]1OC(=O)C2=C1NC1=C([C@H]2c2ccc(F)c(Br)c2)S(=O)(=O)CCC1
    InChI
    InChI=1S/C17H15BrFNO4S/c1-8-15-14(17(21)24-8)13(9-4-5-11(19)10(18)7-9)16-12(20-15)3-2-6-25(16,22)23/h4-5,7-8,13,20H,2-3,6H2,1H3/t8-,13+/m1/s1
    MOLECULAR FORMULA
    C17H15BrFNO4S
    CROSS REFERENCES
    1156113 logo

    canSAR1156113

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 426.99
    AlogP 2.89
    HBond donors 1
    HBond acceptors 5
    Atoms 40
    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 canSAR1156113.