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canSAR1433015
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NAMES
    SMILES
    O=C(NN=Cc1ccc(Sc2nc3ccccc3s2)c([N+](=O)[O-])c1)c1ccccn1
    InChI
    InChI=1S/C20H13N5O3S2/c26-19(15-6-3-4-10-21-15)24-22-12-13-8-9-18(16(11-13)25(27)28)30-20-23-14-5-1-2-7-17(14)29-20/h1-12H,(H,24,26)
    MOLECULAR FORMULA
    C20H13N5O3S2
    CROSS REFERENCES
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    canSAR1433015

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 435.05
    AlogP 4.51
    HBond donors 1
    HBond acceptors 8
    Atoms 43
    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 canSAR1433015.