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canSAR352629
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NAMES
    SMILES
    C=CCNC(=S)Nc1ccc(OCc2n[nH]c(=S)n2C)cc1
    InChI
    InChI=1S/C14H17N5OS2/c1-3-8-15-13(21)16-10-4-6-11(7-5-10)20-9-12-17-18-14(22)19(12)2/h3-7H,1,8-9H2,2H3,(H,18,22)(H2,15,16,21)
    MOLECULAR FORMULA
    C14H17N5OS2
    CROSS REFERENCES
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    canSAR352629

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 335.09
    AlogP 2.53
    HBond donors 3
    HBond acceptors 6
    Atoms 39
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR352629.