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canSAR1060251
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN(CC(O)CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
    InChI
    InChI=1S/C42H58N12O9/c43-22-35(57)48-23-36(58)49-34(21-29-15-8-3-9-16-29)41(63)53-54(24-30(56)26-55)25-37(59)50-33(20-28-13-6-2-7-14-28)40(62)51-31(17-10-18-47-42(45)46)39(61)52-32(38(44)60)19-27-11-4-1-5-12-27/h1-9,11-16,30-34,55-56H,10,17-26,43H2,(H2,44,60)(H,48,57)(H,49,58)(H,50,59)(H,51,62)(H,52,61)(H,53,63)(H4,45,46,47)/t30?,31-,32-,33-,34-/m0/s1
    MOLECULAR FORMULA
    C42H58N12O9
    CROSS REFERENCES
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    canSAR1060251

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 874.44
    AlogP -3.84
    HBond donors 16
    HBond acceptors 21
    Atoms 121
    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 canSAR1060251.