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canSAR1123900
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NAMES
    SMILES
    CC(C)(C(=O)Nc1nncs1)C(c1ccccc1)c1ccc2c(-c3cccc(CO)c3)ncn2c1
    InChI
    InChI=1S/C27H25N5O2S/c1-27(2,25(34)30-26-31-29-17-35-26)23(19-8-4-3-5-9-19)21-11-12-22-24(28-16-32(22)14-21)20-10-6-7-18(13-20)15-33/h3-14,16-17,23,33H,15H2,1-2H3,(H,30,31,34)
    MOLECULAR FORMULA
    C27H25N5O2S
    CROSS REFERENCES
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    canSAR1123900

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.17
    AlogP 5.14
    HBond donors 2
    HBond acceptors 7
    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 canSAR1123900.