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canSAR1863533
FEATURES
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NAMES
    SMILES
    CC1(C)O[C@@H]2[C@@H](COS(=O)(=O)[O-])O[C@@H](n3c(S)nc4c(O)nc(N)nc43)[C@@H]2O1.[K+]
    InChI
    InChI=1S/C13H17N5O8S2.K/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,(H,15,27)(H,20,21,22)(H3,14,16,17,19);/q;+1/p-1/t4-,6-,7-,10-;/m1./s1
    MOLECULAR FORMULA
    C13H16KN5O8S2
    CROSS REFERENCES
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    canSAR1863533

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.01
    AlogP -3.70
    HBond donors 3
    HBond acceptors 13
    Atoms 45
    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 canSAR1863533.