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canSAR1512194
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NAMES
    SMILES
    CCOc1ccc(-c2c(C(=O)N/N=C/c3ccc(C)s3)nnn2-c2nonc2N)cc1
    InChI
    InChI=1S/C19H18N8O3S/c1-3-29-13-7-5-12(6-8-13)16-15(22-26-27(16)18-17(20)24-30-25-18)19(28)23-21-10-14-9-4-11(2)31-14/h4-10H,3H2,1-2H3,(H2,20,24)(H,23,28)/b21-10+
    MOLECULAR FORMULA
    C19H18N8O3S
    CROSS REFERENCES
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    canSAR1512194

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 438.12
    AlogP 2.43
    HBond donors 3
    HBond acceptors 11
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1512194.