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canSAR1685447
FEATURES
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NAMES
    SMILES
    O=C1CCCC2=NC(=S)N[C@@H](c3cc(O)ccc3Br)C12
    InChI
    InChI=1S/C14H13BrN2O2S/c15-9-5-4-7(18)6-8(9)13-12-10(16-14(20)17-13)2-1-3-11(12)19/h4-6,12-13,18H,1-3H2,(H,17,20)/t12?,13-/m0/s1
    MOLECULAR FORMULA
    C14H13BrN2O2S
    CROSS REFERENCES
    1685447 logo

    canSAR1685447

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 351.99
    AlogP 2.89
    HBond donors 2
    HBond acceptors 4
    Atoms 33
    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 canSAR1685447.