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canSAR650427
FEATURES
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NAMES
    SMILES
    CO[C@H](C[C@H](O)[C@H](COc1ccccc1)NC(=O)c1cc(C(=O)N[C@H](C)c2ccccc2)cc(N(C)CS(C)(=O)=O)c1)C(=O)N[C@H](C(=O)NCc1ccccc1)C(C)C
    InChI
    InChI=1S/C44H55N5O9S/c1-29(2)40(44(54)45-26-31-16-10-7-11-17-31)48-43(53)39(57-5)25-38(50)37(27-58-36-20-14-9-15-21-36)47-42(52)34-22-33(23-35(24-34)49(4)28-59(6,55)56)41(51)46-30(3)32-18-12-8-13-19-32/h7-24,29-30,37-40,50H,25-28H2,1-6H3,(H,45,54)(H,46,51)(H,47,52)(H,48,53)/t30-,37+,38+,39-,40+/m1/s1
    MOLECULAR FORMULA
    C44H55N5O9S
    CROSS REFERENCES
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    canSAR650427

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 829.37
    AlogP 4.02
    HBond donors 5
    HBond acceptors 14
    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 canSAR650427.