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canSAR1441660
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NAMES
    SMILES
    Cc1cc(C)nc(SCCCNCc2ccc(Br)cc2)n1.Cl
    InChI
    InChI=1S/C16H20BrN3S.ClH/c1-12-10-13(2)20-16(19-12)21-9-3-8-18-11-14-4-6-15(17)7-5-14;/h4-7,10,18H,3,8-9,11H2,1-2H3;1H
    MOLECULAR FORMULA
    C16H21BrClN3S
    CROSS REFERENCES
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    canSAR1441660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.03
    AlogP 4.55
    HBond donors 1
    HBond acceptors 3
    Atoms 43
    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 canSAR1441660.