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canSAR1270650
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NAMES
    SMILES
    O=C(CCc1nccs1)N1CCN(c2ccccn2)CC1
    InChI
    InChI=1S/C15H18N4OS/c20-15(5-4-14-17-7-12-21-14)19-10-8-18(9-11-19)13-3-1-2-6-16-13/h1-3,6-7,12H,4-5,8-11H2
    MOLECULAR FORMULA
    C15H18N4OS
    CROSS REFERENCES
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    canSAR1270650

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 302.12
    AlogP 1.82
    HBond donors 0
    HBond acceptors 5
    Atoms 39
    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 canSAR1270650.