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canSAR1443125
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NAMES
    SMILES
    Br.CCOc1ccc(C2=CS/C(=C(\C#N)c3nnc4n3CCCCC4)N2CC)cc1
    InChI
    InChI=1S/C22H25N5OS.BrH/c1-3-26-19(16-9-11-17(12-10-16)28-4-2)15-29-22(26)18(14-23)21-25-24-20-8-6-5-7-13-27(20)21;/h9-12,15H,3-8,13H2,1-2H3;1H/b22-18+;
    MOLECULAR FORMULA
    C22H26BrN5OS
    CROSS REFERENCES
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    canSAR1443125

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 487.10
    AlogP 5.24
    HBond donors 0
    HBond acceptors 6
    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 canSAR1443125.