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canSAR779125
FEATURES
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NAMES
    SMILES
    C[C@H](O)[C@@H]1NC(=O)[C@@H](CCCCN)NC(=O)[C@@H](Cc2c[nH]c3ccccc23)NC(=O)[C@@H](C)NC(=O)[C@H](Cc2ccccc2)NC(=O)CCCCCCNC(=O)[C@@H](Cc2ccccc2)NC1=O
    InChI
    InChI=1S/C49H65N9O8/c1-31-44(61)56-41(29-35-30-52-37-22-13-12-21-36(35)37)48(65)55-38(23-14-15-25-50)46(63)58-43(32(2)59)49(66)57-39(27-33-17-7-5-8-18-33)45(62)51-26-16-4-3-11-24-42(60)54-40(47(64)53-31)28-34-19-9-6-10-20-34/h5-10,12-13,17-22,30-32,38-41,43,52,59H,3-4,11,14-16,23-29,50H2,1-2H3,(H,51,62)(H,53,64)(H,54,60)(H,55,65)(H,56,61)(H,57,66)(H,58,63)/t31-,32+,38-,39-,40+,41-,43+/m1/s1
    MOLECULAR FORMULA
    C49H65N9O8
    CROSS REFERENCES
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    canSAR779125

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 907.50
    AlogP 1.71
    HBond donors 11
    HBond acceptors 17
    Atoms 131
    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 canSAR779125.