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canSAR843895
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NAMES
    SMILES
    CC(C)N[C@@H]1CC(=S)N2C[C@@H]3CCCN4CCC[C@@H]([C@H]34)[C@H]2C1
    InChI
    InChI=1S/C18H31N3S/c1-12(2)19-14-9-16-15-6-4-8-20-7-3-5-13(18(15)20)11-21(16)17(22)10-14/h12-16,18-19H,3-11H2,1-2H3/t13-,14-,15+,16+,18-/m0/s1
    MOLECULAR FORMULA
    C18H31N3S
    CROSS REFERENCES
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    canSAR843895

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 321.22
    AlogP 2.65
    HBond donors 1
    HBond acceptors 3
    Atoms 53
    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 canSAR843895.