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canSAR349762
FEATURES
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NAMES
    SMILES
    COc1ccnc(C[S+]([O-])c2nc3cc(CO)ccc3[nH]2)c1C
    InChI
    InChI=1S/C16H17N3O3S/c1-10-14(17-6-5-15(10)22-2)9-23(21)16-18-12-4-3-11(8-20)7-13(12)19-16/h3-7,20H,8-9H2,1-2H3,(H,18,19)
    MOLECULAR FORMULA
    C16H17N3O3S
    CROSS REFERENCES
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    canSAR349762

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.10
    AlogP 2.08
    HBond donors 2
    HBond acceptors 6
    Atoms 40
    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 canSAR349762.