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canSAR784000
FEATURES
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NAMES
    SMILES
    CSc1c(O)c2c(c(O)c1SC)[C@@H]1COC3[C@@H]4C[C@@H](C(=O)O)[C@H]([C@H](C2)N31)N4C
    InChI
    InChI=1S/C19H24N2O5S2/c1-20-10-5-8(19(24)25)13(20)9-4-7-12(11-6-26-18(10)21(9)11)15(23)17(28-3)16(27-2)14(7)22/h8-11,13,18,22-23H,4-6H2,1-3H3,(H,24,25)/t8-,9+,10+,11+,13-,18?/m1/s1
    MOLECULAR FORMULA
    C19H24N2O5S2
    CROSS REFERENCES
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    canSAR784000

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 424.11
    AlogP 1.95
    HBond donors 3
    HBond acceptors 7
    Atoms 52
    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 canSAR784000.