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canSAR992112
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](Cc1ccc(N=[N+]=[N-])cc1)C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O)[C@H](C)O
    InChI
    InChI=1S/C41H54N10O14/c1-20(2)15-27(47-40(63)34(22(4)52)49-39(62)28(44-23(5)53)16-25-11-13-26(14-12-25)50-51-42)37(60)46-29(18-32(54)55)36(59)43-21(3)35(58)45-30(19-33(56)57)38(61)48-31(41(64)65)17-24-9-7-6-8-10-24/h6-14,20-22,27-31,34,52H,15-19H2,1-5H3,(H,43,59)(H,44,53)(H,45,58)(H,46,60)(H,47,63)(H,48,61)(H,49,62)(H,54,55)(H,56,57)(H,64,65)/t21-,22-,27-,28-,29-,30-,31-,34-/m0/s1
    MOLECULAR FORMULA
    C41H54N10O14
    CROSS REFERENCES
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    canSAR992112

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 910.38
    AlogP -0.69
    HBond donors 11
    HBond acceptors 24
    Atoms 119
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR992112.