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canSAR1634802
FEATURES
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NAMES
    SMILES
    CCOC(=O)c1c(C(=O)Nc2nnc(S(N)(=O)=O)s2)nn(-c2cccc(NN=C(C(C)=O)C(=O)c3ccccc3)c2)c1-c1ccccc1
    InChI
    InChI=1S/C31H26N8O7S2/c1-3-46-29(43)23-25(28(42)33-30-36-37-31(47-30)48(32,44)45)38-39(26(23)19-11-6-4-7-12-19)22-16-10-15-21(17-22)34-35-24(18(2)40)27(41)20-13-8-5-9-14-20/h4-17,34H,3H2,1-2H3,(H2,32,44,45)(H,33,36,42)
    MOLECULAR FORMULA
    C31H26N8O7S2
    CROSS REFERENCES
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    canSAR1634802

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 686.14
    AlogP 3.71
    HBond donors 4
    HBond acceptors 15
    Atoms 74
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1634802.