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canSAR1685626
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NAMES
    SMILES
    N#Cc1c(-c2cccs2)cc(C2CC2)nc1SCC(N)=O
    InChI
    InChI=1S/C15H13N3OS2/c16-7-11-10(13-2-1-5-20-13)6-12(9-3-4-9)18-15(11)21-8-14(17)19/h1-2,5-6,9H,3-4,8H2,(H2,17,19)
    MOLECULAR FORMULA
    C15H13N3OS2
    CROSS REFERENCES
    1685626 logo

    canSAR1685626

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 315.05
    AlogP 3.14
    HBond donors 2
    HBond acceptors 4
    Atoms 34
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1685626.