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canSAR1768128
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NAMES
    SMILES
    O=C(O)C[C@H]1NC(=O)[C@H](Cc2c(Br)[nH]c3ccccc23)NC(=O)[C@@H](C2CC2)NC(=O)[C@H](C2CCCC2)NC(=O)[C@@H]2CCCN2C1=O
    InChI
    InChI=1S/C32H39BrN6O7/c33-27-19(18-8-3-4-9-20(18)34-27)14-21-28(42)36-22(15-24(40)41)32(46)39-13-5-10-23(39)29(43)37-25(16-6-1-2-7-16)31(45)38-26(17-11-12-17)30(44)35-21/h3-4,8-9,16-17,21-23,25-26,34H,1-2,5-7,10-15H2,(H,35,44)(H,36,42)(H,37,43)(H,38,45)(H,40,41)/t21-,22+,23?,25-,26+/m0/s1
    MOLECULAR FORMULA
    C32H39BrN6O7
    CROSS REFERENCES
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    canSAR1768128

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 698.21
    AlogP 1.49
    HBond donors 6
    HBond acceptors 13
    Atoms 85
    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 canSAR1768128.