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canSAR1831037
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NAMES
    SMILES
    CC#Cc1cncc(-c2csc([C@]3(C)CCOC(N)=N3)c2)c1
    InChI
    InChI=1S/C17H17N3OS/c1-3-4-12-7-13(10-19-9-12)14-8-15(22-11-14)17(2)5-6-21-16(18)20-17/h7-11H,5-6H2,1-2H3,(H2,18,20)/t17-/m0/s1
    MOLECULAR FORMULA
    C17H17N3OS
    CROSS REFERENCES
    1831037 logo

    canSAR1831037

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 311.11
    AlogP 3.13
    HBond donors 2
    HBond acceptors 4
    Atoms 39
    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 canSAR1831037.