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canSAR560850
FEATURES
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NAMES
    SMILES
    CS(=O)(=O)O.Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)O
    InChI
    InChI=1S/C20H24N6O7S.CH4O3S/c1-10-18(11(2)32-24-10)34(30,31)26-16(20(28)29)9-23-17(27)8-14-7-15(25-33-14)12-3-5-13(6-4-12)19(21)22;1-5(2,3)4/h3-6,14,16,26H,7-9H2,1-2H3,(H3,21,22)(H,23,27)(H,28,29);1H3,(H,2,3,4)/t14-,16+;/m1./s1
    MOLECULAR FORMULA
    C21H28N6O10S2
    CROSS REFERENCES
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    canSAR560850

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 588.13
    AlogP -0.49
    HBond donors 7
    HBond acceptors 16
    Atoms 67
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR560850.