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canSAR34879
FEATURES
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NAMES
    SMILES
    COc1ccnc(C[S+]([O-])c2nc3cc(C(C)(C)C)ccc3[nH]2)c1C
    InChI
    InChI=1S/C19H23N3O2S/c1-12-16(20-9-8-17(12)24-5)11-25(23)18-21-14-7-6-13(19(2,3)4)10-15(14)22-18/h6-10H,11H2,1-5H3,(H,21,22)
    MOLECULAR FORMULA
    C19H23N3O2S
    CROSS REFERENCES
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    canSAR34879

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 357.15
    AlogP 3.88
    HBond donors 1
    HBond acceptors 5
    Atoms 48
    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 canSAR34879.