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canSAR1503343
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NAMES
    SMILES
    Cc1c(NC(=O)c2ccc(N3CCCC3)c([N+](=O)[O-])c2)cccc1-c1nc2ccccc2s1
    InChI
    InChI=1S/C25H22N4O3S/c1-16-18(25-27-20-8-2-3-10-23(20)33-25)7-6-9-19(16)26-24(30)17-11-12-21(22(15-17)29(31)32)28-13-4-5-14-28/h2-3,6-12,15H,4-5,13-14H2,1H3,(H,26,30)
    MOLECULAR FORMULA
    C25H22N4O3S
    CROSS REFERENCES
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    canSAR1503343

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.14
    AlogP 6.03
    HBond donors 1
    HBond acceptors 7
    Atoms 55
    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 canSAR1503343.