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canSAR670926
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NAMES
    SMILES
    C[C@@H]1CCCN1CCc1ccc2nc(-c3csc(-c4ccccc4)n3)ccc2c1
    InChI
    InChI=1S/C25H25N3S/c1-18-6-5-14-28(18)15-13-19-9-11-22-21(16-19)10-12-23(26-22)24-17-29-25(27-24)20-7-3-2-4-8-20/h2-4,7-12,16-18H,5-6,13-15H2,1H3/t18-/m1/s1
    MOLECULAR FORMULA
    C25H25N3S
    CROSS REFERENCES
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    canSAR670926

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.18
    AlogP 6.05
    HBond donors 0
    HBond acceptors 3
    Atoms 54
    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 canSAR670926.