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canSAR789331
FEATURES
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NAMES
    SMILES
    CC[S+]([O-])CCn1c(=O)c2[nH]c(Cc3ccco3)nc2n(CCCOC)c1=O
    InChI
    InChI=1S/C18H24N4O5S/c1-3-28(25)11-8-22-17(23)15-16(21(18(22)24)7-5-9-26-2)20-14(19-15)12-13-6-4-10-27-13/h4,6,10H,3,5,7-9,11-12H2,1-2H3,(H,19,20)
    MOLECULAR FORMULA
    C18H24N4O5S
    CROSS REFERENCES
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    canSAR789331

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.15
    AlogP 0.88
    HBond donors 1
    HBond acceptors 9
    Atoms 52
    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 canSAR789331.