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canSAR985487
FEATURES
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NAMES
    SMILES
    COc1cc2cc(C(=O)N3CC(COS(=O)(=O)C4CCCCC4)c4c3cc([N+](=O)[O-])c3ccccc43)[nH]c2c(OC)c1OC
    InChI
    InChI=1S/C31H33N3O9S/c1-40-26-14-18-13-23(32-28(18)30(42-3)29(26)41-2)31(35)33-16-19(17-43-44(38,39)20-9-5-4-6-10-20)27-22-12-8-7-11-21(22)24(34(36)37)15-25(27)33/h7-8,11-15,19-20,32H,4-6,9-10,16-17H2,1-3H3
    MOLECULAR FORMULA
    C31H33N3O9S
    CROSS REFERENCES
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    canSAR985487

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 623.19
    AlogP 5.68
    HBond donors 1
    HBond acceptors 12
    Atoms 77
    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 canSAR985487.