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canSAR1094630
FEATURES
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NAMES
    SMILES
    O=C1NC(=S)NC(=O)C1=Cc1ccc(N2CCc3ccccc3C2)c([N+](=O)[O-])c1
    InChI
    InChI=1S/C20H16N4O4S/c25-18-15(19(26)22-20(29)21-18)9-12-5-6-16(17(10-12)24(27)28)23-8-7-13-3-1-2-4-14(13)11-23/h1-6,9-10H,7-8,11H2,(H2,21,22,25,26,29)
    MOLECULAR FORMULA
    C20H16N4O4S
    CROSS REFERENCES
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    canSAR1094630

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.09
    AlogP 2.07
    HBond donors 2
    HBond acceptors 8
    Atoms 45
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1094630.