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canSAR346585
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NAMES
    SMILES
    O=C([C@@H]1C[C@H](N2CCN(c3ccccc3Cl)CC2)CN1)N1CCSC1
    InChI
    InChI=1S/C18H25ClN4OS/c19-15-3-1-2-4-17(15)22-7-5-21(6-8-22)14-11-16(20-12-14)18(24)23-9-10-25-13-23/h1-4,14,16,20H,5-13H2/t14-,16-/m0/s1
    MOLECULAR FORMULA
    C18H25ClN4OS
    CROSS REFERENCES
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    canSAR346585

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 380.14
    AlogP 1.73
    HBond donors 1
    HBond acceptors 5
    Atoms 50
    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 canSAR346585.