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canSAR1149621
FEATURES
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NAMES
    SMILES
    NC(=S)NN1C(=O)C(c2c[nH]c3ccccc23)=C(c2n[nH]c3ncccc23)C1=O
    InChI
    InChI=1S/C19H13N7O2S/c20-19(29)25-26-17(27)13(11-8-22-12-6-2-1-4-9(11)12)14(18(26)28)15-10-5-3-7-21-16(10)24-23-15/h1-8,22H,(H3,20,25,29)(H,21,23,24)
    MOLECULAR FORMULA
    C19H13N7O2S
    CROSS REFERENCES
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    canSAR1149621

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.09
    AlogP 1.47
    HBond donors 5
    HBond acceptors 9
    Atoms 42
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1149621.