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canSAR2021241
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NAMES
    SMILES
    O=C1N=C(N2C=CC(c3ccncc3)C=C2)C(=CN=NC(=O)c2ccccc2O)S1
    InChI
    InChI=1S/C21H15N5O3S/c27-17-4-2-1-3-16(17)20(28)25-23-13-18-19(24-21(29)30-18)26-11-7-15(8-12-26)14-5-9-22-10-6-14/h1-13,15,27H
    MOLECULAR FORMULA
    C21H15N5O3S
    CROSS REFERENCES
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    canSAR2021241

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.09
    AlogP 4.61
    HBond donors 1
    HBond acceptors 8
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2021241.