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canSAR847245
FEATURES
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NAMES
    SMILES
    Cc1nc(O)nc(O)c1/C=C/C(=O)N[C@@H](CO)C[S+]([O-])CSC1CCCCC1
    InChI
    InChI=1S/C18H27N3O5S2/c1-12-15(17(24)21-18(25)19-12)7-8-16(23)20-13(9-22)10-28(26)11-27-14-5-3-2-4-6-14/h7-8,13-14,22H,2-6,9-11H2,1H3,(H,20,23)(H2,19,21,24,25)/b8-7+/t13-,28?/m0/s1
    MOLECULAR FORMULA
    C18H27N3O5S2
    CROSS REFERENCES
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    canSAR847245

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.14
    AlogP 1.46
    HBond donors 4
    HBond acceptors 8
    Atoms 55
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR847245.