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canSAR109475
FEATURES
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NAMES
    SMILES
    CCCO/C(O)=C1\C(C)=NC(C)=C(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)C1c1cccc([N+](=O)[O-])c1
    InChI
    InChI=1S/C26H25N3O9S/c1-4-12-37-25(31)21-15(2)27-16(3)22(23(21)17-8-7-9-18(13-17)29(33)34)26(32)38-14-28-24(30)19-10-5-6-11-20(19)39(28,35)36/h5-11,13,23,31H,4,12,14H2,1-3H3/b25-21+
    MOLECULAR FORMULA
    C26H25N3O9S
    CROSS REFERENCES
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    canSAR109475

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 555.13
    AlogP 3.97
    HBond donors 1
    HBond acceptors 12
    Atoms 64
    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 canSAR109475.