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canSAR782484
FEATURES
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NAMES
    SMILES
    CCOC(=O)C1=C(N)Oc2ccc(Sc3nc4cc(OC)ccc4[nH]3)cc2C1c1ccc([N+](=O)[O-])cc1
    InChI
    InChI=1S/C26H22N4O6S/c1-3-35-25(31)23-22(14-4-6-15(7-5-14)30(32)33)18-13-17(9-11-21(18)36-24(23)27)37-26-28-19-10-8-16(34-2)12-20(19)29-26/h4-13,22H,3,27H2,1-2H3,(H,28,29)
    MOLECULAR FORMULA
    C26H22N4O6S
    CROSS REFERENCES
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    canSAR782484

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.13
    AlogP 4.89
    HBond donors 3
    HBond acceptors 10
    Atoms 59
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR782484.