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canSAR1405447
FEATURES
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NAMES
    SMILES
    COc1ccc(C(=O)NC(=S)Nc2ccc(N3CCOCC3)c(Cl)c2)cc1[N+](=O)[O-]
    InChI
    InChI=1S/C19H19ClN4O5S/c1-28-17-5-2-12(10-16(17)24(26)27)18(25)22-19(30)21-13-3-4-15(14(20)11-13)23-6-8-29-9-7-23/h2-5,10-11H,6-9H2,1H3,(H2,21,22,25,30)
    MOLECULAR FORMULA
    C19H19ClN4O5S
    CROSS REFERENCES
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    canSAR1405447

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.08
    AlogP 3.22
    HBond donors 2
    HBond acceptors 9
    Atoms 49
    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 canSAR1405447.