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canSAR1126113
FEATURES
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NAMES
    SMILES
    CC[C@H](C)[C@H](N)C(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)O)[C@@H](C)CC
    InChI
    InChI=1S/C39H57N9O9/c1-7-21(5)32(40)37(54)48-33(22(6)8-2)38(55)46-28(14-23-17-42-26-12-10-9-11-25(23)26)35(52)45-29(15-24-18-41-19-43-24)36(53)44-27(13-20(3)4)34(51)47-30(39(56)57)16-31(49)50/h9-12,17-22,27-30,32-33,42H,7-8,13-16,40H2,1-6H3,(H,41,43)(H,44,53)(H,45,52)(H,46,55)(H,47,51)(H,48,54)(H,49,50)(H,56,57)/t21-,22-,27-,28-,29+,30-,32-,33-/m0/s1
    MOLECULAR FORMULA
    C39H57N9O9
    CROSS REFERENCES
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    canSAR1126113

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 795.43
    AlogP 1.13
    HBond donors 11
    HBond acceptors 18
    Atoms 114
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1126113.