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canSAR837446
FEATURES
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NAMES
    SMILES
    COC(=O)[C@@H](NC(=O)[C@H](CCCCNC(=O)OCc1cn([C@@H]2O[C@H]([C@@H]3COC(C)(C)O3)[C@@H]3OC(C)(C)O[C@@H]32)nn1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(C)C
    InChI
    InChI=1S/C42H63N7O13/c1-24(2)30(37(52)55-10)46-34(50)27(44-35(51)28(20-25-16-12-11-13-17-25)45-39(54)62-40(3,4)5)18-14-15-19-43-38(53)56-22-26-21-49(48-47-26)36-33-32(60-42(8,9)61-33)31(58-36)29-23-57-41(6,7)59-29/h11-13,16-17,21,24,27-33,36H,14-15,18-20,22-23H2,1-10H3,(H,43,53)(H,44,51)(H,45,54)(H,46,50)/t27-,28-,29-,30-,31+,32-,33-,36+/m0/s1
    MOLECULAR FORMULA
    C42H63N7O13
    CROSS REFERENCES
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    canSAR837446

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 873.45
    AlogP 3.18
    HBond donors 4
    HBond acceptors 20
    Atoms 125
    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 canSAR837446.