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canSAR1059253
FEATURES
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NAMES
    SMILES
    N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)CNN)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
    InChI
    InChI=1S/C40H54N12O8/c41-35(56)29(19-25-11-4-1-5-12-25)50-36(57)28(17-10-18-45-40(42)43)49-38(59)31(21-27-15-8-3-9-16-27)51-39(60)32(24-53)52-37(58)30(20-26-13-6-2-7-14-26)48-34(55)22-46-33(54)23-47-44/h1-9,11-16,28-32,47,53H,10,17-24,44H2,(H2,41,56)(H,46,54)(H,48,55)(H,49,59)(H,50,57)(H,51,60)(H,52,58)(H4,42,43,45)/t28-,29-,30-,31-,32-/m0/s1
    MOLECULAR FORMULA
    C40H54N12O8
    CROSS REFERENCES
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    canSAR1059253

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 830.42
    AlogP -3.54
    HBond donors 16
    HBond acceptors 20
    Atoms 114
    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 canSAR1059253.