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canSAR504773
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NAMES
    SMILES
    COc1ccc(-n2nc(C)cc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c(CN)c1
    InChI
    InChI=1S/C25H25N5O4S/c1-16-13-23(30(29-16)22-12-11-20(34-2)14-18(22)15-26)25(31)28-19-9-7-17(8-10-19)21-5-3-4-6-24(21)35(27,32)33/h3-14H,15,26H2,1-2H3,(H,28,31)(H2,27,32,33)
    MOLECULAR FORMULA
    C25H25N5O4S
    CROSS REFERENCES
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    canSAR504773

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 491.16
    AlogP 3.21
    HBond donors 5
    HBond acceptors 9
    Atoms 60
    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 canSAR504773.