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canSAR112485
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)c1ccc(CNc2ccc(-c3c(N)nc(N)nc3C3COc4ccccc4O3)cc2)cc1
    InChI
    InChI=1S/C26H25N5O4S/c1-36(32,33)19-12-6-16(7-13-19)14-29-18-10-8-17(9-11-18)23-24(30-26(28)31-25(23)27)22-15-34-20-4-2-3-5-21(20)35-22/h2-13,22,29H,14-15H2,1H3,(H4,27,28,30,31)
    MOLECULAR FORMULA
    C26H25N5O4S
    CROSS REFERENCES
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    canSAR112485

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 503.16
    AlogP 3.84
    HBond donors 5
    HBond acceptors 9
    Atoms 61
    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 canSAR112485.