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canSAR82962
FEATURES
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NAMES
    SMILES
    CC[C@@H](C)[C@H](NC(=O)[C@H](S)[C@@H](N)CCS(=O)(=O)O)C(=O)N[C@@H](CC(=O)O)C(=O)O
    InChI
    InChI=1S/C15H27N3O9S2/c1-3-7(2)11(13(21)17-9(15(23)24)6-10(19)20)18-14(22)12(28)8(16)4-5-29(25,26)27/h7-9,11-12,28H,3-6,16H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)(H,23,24)(H,25,26,27)/t7-,8+,9+,11+,12-/m1/s1
    MOLECULAR FORMULA
    C15H27N3O9S2
    CROSS REFERENCES
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    canSAR82962

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 457.12
    AlogP -1.53
    HBond donors 7
    HBond acceptors 12
    Atoms 56
    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 canSAR82962.