canSAR546756
FEATURES
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NAMES
    SMILES
    CNc1ncnc2c1ncn2[C@@H]1O[C@H](COS(=O)(=O)[N-]C(=O)c2ccccc2O)[C@@H](O)[C@H]1O.[Na+]
    InChI
    InChI=1S/C18H20N6O8S.Na/c1-19-15-12-16(21-7-20-15)24(8-22-12)18-14(27)13(26)11(32-18)6-31-33(29,30)23-17(28)9-4-2-3-5-10(9)25;/h2-5,7-8,11,13-14,18,26-27H,6H2,1H3,(H3,19,20,21,23,25,28);/q;+1/p-1/t11-,13-,14-,18-;/m1./s1
    MOLECULAR FORMULA
    C18H19N6NaO8S
    CROSS REFERENCES
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    canSAR546756
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight502.09
    AlogP-3.33
    HBond donors4
    HBond acceptors14
    Atoms53
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR546756.