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canSAR2018695
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NAMES
    SMILES
    COc1cccc(-c2nn3c(-c4cc(C)[nH]n4)nnc3s2)c1
    InChI
    InChI=1S/C14H12N6OS/c1-8-6-11(16-15-8)12-17-18-14-20(12)19-13(22-14)9-4-3-5-10(7-9)21-2/h3-7H,1-2H3,(H,15,16)
    MOLECULAR FORMULA
    C14H12N6OS
    CROSS REFERENCES
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    canSAR2018695

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 312.08
    AlogP 2.56
    HBond donors 1
    HBond acceptors 7
    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 canSAR2018695.