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canSAR1428983
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NAMES
    SMILES
    CCOCCCN=C(S)NCCNc1nc2c(C)cccc2cc1C#N
    InChI
    InChI=1S/C19H25N5OS/c1-3-25-11-5-8-22-19(26)23-10-9-21-18-16(13-20)12-15-7-4-6-14(2)17(15)24-18/h4,6-7,12H,3,5,8-11H2,1-2H3,(H,21,24)(H2,22,23,26)
    MOLECULAR FORMULA
    C19H25N5OS
    CROSS REFERENCES
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    canSAR1428983

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 371.18
    AlogP 3.13
    HBond donors 2
    HBond acceptors 6
    Atoms 51
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1428983.