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canSAR1128665
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NAMES
    SMILES
    c1ccc(CCCSc2nnc(-c3ccc4[nH]cnc4c3)o2)cc1
    InChI
    InChI=1S/C18H16N4OS/c1-2-5-13(6-3-1)7-4-10-24-18-22-21-17(23-18)14-8-9-15-16(11-14)20-12-19-15/h1-3,5-6,8-9,11-12H,4,7,10H2,(H,19,20)
    MOLECULAR FORMULA
    C18H16N4OS
    CROSS REFERENCES
    1128665 logo

    canSAR1128665

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 336.10
    AlogP 4.34
    HBond donors 1
    HBond acceptors 5
    Atoms 40
    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 canSAR1128665.