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canSAR1127529
FEATURES
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NAMES
    SMILES
    CC(=O)N[C@@H](C)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/C35H51N7O14/c1-16(2)12-22(40-34(54)28(19(5)43)42-30(50)17(3)36-20(6)44)32(52)39-23(14-26(45)46)31(51)37-18(4)29(49)38-24(15-27(47)48)33(53)41-25(35(55)56)13-21-10-8-7-9-11-21/h7-11,16-19,22-25,28,43H,12-15H2,1-6H3,(H,36,44)(H,37,51)(H,38,49)(H,39,52)(H,40,54)(H,41,53)(H,42,50)(H,45,46)(H,47,48)(H,55,56)/t17-,18-,19-,22-,23-,24-,25-,28-/m0/s1
    MOLECULAR FORMULA
    C35H51N7O14
    CROSS REFERENCES
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    canSAR1127529

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 793.35
    AlogP -2.86
    HBond donors 11
    HBond acceptors 21
    Atoms 107
    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 canSAR1127529.