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canSAR1122604
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NAMES
    SMILES
    COc1ccc(NC2=NCc3c([nH]c4ccccc34)S2)cc1
    InChI
    InChI=1S/C17H15N3OS/c1-21-12-8-6-11(7-9-12)19-17-18-10-14-13-4-2-3-5-15(13)20-16(14)22-17/h2-9,20H,10H2,1H3,(H,18,19)
    MOLECULAR FORMULA
    C17H15N3OS
    CROSS REFERENCES
    1122604 logo

    canSAR1122604

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 309.09
    AlogP 4.25
    HBond donors 2
    HBond acceptors 4
    Atoms 37
    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 canSAR1122604.