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canSAR2017761
FEATURES
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NAMES
    SMILES
    O=C(CSCC(=O)N/N=C\c1ccc(O)c(O)c1O)N/N=C\c1ccc(O)c(O)c1O
    InChI
    InChI=1S/C18H18N4O8S/c23-11-3-1-9(15(27)17(11)29)5-19-21-13(25)7-31-8-14(26)22-20-6-10-2-4-12(24)18(30)16(10)28/h1-6,23-24,27-30H,7-8H2,(H,21,25)(H,22,26)/b19-5-,20-6-
    MOLECULAR FORMULA
    C18H18N4O8S
    CROSS REFERENCES
    2017761 logo

    canSAR2017761

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.08
    AlogP 0.25
    HBond donors 8
    HBond acceptors 12
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2017761.