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canSAR838615
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NAMES
    SMILES
    C[C@@H](O)[C@H]1C(=O)N2C(C(=O)O)=C(Sc3nc(-c4ccc(N)cc4)cs3)[C@H](C)[C@H]12
    InChI
    InChI=1S/C19H19N3O4S2/c1-8-14-13(9(2)23)17(24)22(14)15(18(25)26)16(8)28-19-21-12(7-27-19)10-3-5-11(20)6-4-10/h3-9,13-14,23H,20H2,1-2H3,(H,25,26)/t8-,9-,13-,14-/m1/s1
    MOLECULAR FORMULA
    C19H19N3O4S2
    CROSS REFERENCES
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    canSAR838615

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 417.08
    AlogP 2.64
    HBond donors 4
    HBond acceptors 7
    Atoms 47
    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 canSAR838615.