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canSAR2003390
FEATURES
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NAMES
    SMILES
    N#Cc1c(NC(=O)c2ccc(-c3ccccc3[N+](=O)[O-])o2)sc2c1CCCC2
    InChI
    InChI=1S/C20H15N3O4S/c21-11-14-12-5-2-4-8-18(12)28-20(14)22-19(24)17-10-9-16(27-17)13-6-1-3-7-15(13)23(25)26/h1,3,6-7,9-10H,2,4-5,8H2,(H,22,24)
    MOLECULAR FORMULA
    C20H15N3O4S
    CROSS REFERENCES
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    canSAR2003390

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.08
    AlogP 4.92
    HBond donors 1
    HBond acceptors 7
    Atoms 43
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2003390.