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canSAR1442498
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NAMES
    SMILES
    CCN(CC)CCN1C(=O)/C(=C\c2ccc(Cl)c([N+](=O)[O-])c2)SC1=Nc1ccc(OC)cc1
    InChI
    InChI=1S/C23H25ClN4O4S/c1-4-26(5-2)12-13-27-22(29)21(15-16-6-11-19(24)20(14-16)28(30)31)33-23(27)25-17-7-9-18(32-3)10-8-17/h6-11,14-15H,4-5,12-13H2,1-3H3/b21-15+,25-23?
    MOLECULAR FORMULA
    C23H25ClN4O4S
    CROSS REFERENCES
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    canSAR1442498

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 488.13
    AlogP 5.20
    HBond donors 0
    HBond acceptors 8
    Atoms 58
    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 canSAR1442498.