canSAR1846628
FEATURES
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NAMES
    SMILES
    CC1(C)O[C@@H]2[C@@H](COS(=O)(=O)[O-])O[C@@H](n3c(=S)[nH]c4c(=O)[nH]c(N)nc43)[C@@H]2O1
    InChI
    InChI=1S/C13H15N5O8S2/c1-13(2)25-6-4(3-23-28(20,21)22)24-10(7(6)26-13)18-8-5(15-12(18)27)9(19)17-11(14)16-8/h4,6-7,10H,3H2,1-2H3,(H2,14,17,19)(H,20,21,22)/p-1/t4-,6-,7-,10-/m1/s1
    MOLECULAR FORMULA
    C13H16N5O8S2-
    CROSS REFERENCES
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    canSAR1846628
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight434.04
    AlogP-0.74
    HBond donors4
    HBond acceptors13
    Atoms44
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1846628.