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canSAR916116
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NAMES
    SMILES
    CC(C)C[C@@H](C(=O)NCC#N)N(C)C(=O)c1ccc(-c2noc(-c3cccs3)n2)cc1
    InChI
    InChI=1S/C22H23N5O3S/c1-14(2)13-17(20(28)24-11-10-23)27(3)22(29)16-8-6-15(7-9-16)19-25-21(30-26-19)18-5-4-12-31-18/h4-9,12,14,17H,11,13H2,1-3H3,(H,24,28)/t17-/m0/s1
    MOLECULAR FORMULA
    C22H23N5O3S
    CROSS REFERENCES
    916116 logo

    canSAR916116

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 437.15
    AlogP 3.59
    HBond donors 1
    HBond acceptors 8
    Atoms 54
    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 canSAR916116.