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canSAR1206564
FEATURES
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NAMES
    SMILES
    NS(=O)(=O)c1ccc(NC(=S)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O)cc1
    InChI
    InChI=1S/C23H28N6O15S2/c24-46(43,44)10-3-1-9(2-4-10)25-23(45)29-13(7-17(34)35)21(40)27-11(5-15(30)31)19(38)26-12(6-16(32)33)20(39)28-14(22(41)42)8-18(36)37/h1-4,11-14H,5-8H2,(H,26,38)(H,27,40)(H,28,39)(H,30,31)(H,32,33)(H,34,35)(H,36,37)(H,41,42)(H2,24,43,44)(H2,25,29,45)/t11-,12-,13-,14-/m0/s1
    MOLECULAR FORMULA
    C23H28N6O15S2
    CROSS REFERENCES
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    canSAR1206564

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 692.11
    AlogP -3.57
    HBond donors 12
    HBond acceptors 21
    Atoms 74
    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 canSAR1206564.