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canSAR926749
FEATURES
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NAMES
    SMILES
    CNC(=O)C1=C/C(=C2\C(=O)c3ccccc3[C@@](C)(CCC(C)(C)C)C2=O)Nc2ccc(NS(C)(=O)=O)cc21
    InChI
    InChI=1S/C29H33N3O5S/c1-28(2,3)13-14-29(4)21-10-8-7-9-18(21)25(33)24(26(29)34)23-16-20(27(35)30-5)19-15-17(32-38(6,36)37)11-12-22(19)31-23/h7-12,15-16,31-32H,13-14H2,1-6H3,(H,30,35)/b24-23-/t29-/m1/s1
    MOLECULAR FORMULA
    C29H33N3O5S
    CROSS REFERENCES
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    canSAR926749

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 535.21
    AlogP 4.42
    HBond donors 3
    HBond acceptors 8
    Atoms 71
    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 canSAR926749.