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canSAR82842
FEATURES
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NAMES
    SMILES
    CC(C)(C)[C@H](NC(=O)OCc1nc2ccccc2[nH]1)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)[C@H](CO)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1nc2ccccc2[nH]1)C(C)(C)C
    InChI
    InChI=1S/C49H60N8O8/c1-48(2,3)42(56-46(62)64-28-39-50-33-21-13-14-22-34(33)51-39)44(60)54-37(25-30-17-9-7-10-18-30)32(27-58)41(59)38(26-31-19-11-8-12-20-31)55-45(61)43(49(4,5)6)57-47(63)65-29-40-52-35-23-15-16-24-36(35)53-40/h7-24,32,37-38,41-43,58-59H,25-29H2,1-6H3,(H,50,51)(H,52,53)(H,54,60)(H,55,61)(H,56,62)(H,57,63)/t32-,37+,38+,41+,42-,43-/m1/s1
    MOLECULAR FORMULA
    C49H60N8O8
    CROSS REFERENCES
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    canSAR82842

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 888.45
    AlogP 5.85
    HBond donors 8
    HBond acceptors 16
    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 canSAR82842.