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canSAR1404476
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NAMES
    SMILES
    COCCN=C(S)NN=C1CCC(c2ccccc2)CC1
    InChI
    InChI=1S/C16H23N3OS/c1-20-12-11-17-16(21)19-18-15-9-7-14(8-10-15)13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H2,17,19,21)/b18-15-
    MOLECULAR FORMULA
    C16H23N3OS
    CROSS REFERENCES
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    canSAR1404476

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 305.16
    AlogP 3.22
    HBond donors 1
    HBond acceptors 4
    Atoms 44
    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 canSAR1404476.