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canSAR98660
FEATURES
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NAMES
    SMILES
    CCC(=O)C(=O)CCCC[C@@H]1NC(=O)[C@H]2CCCCN2CC(=O)[C@H](C(C)CC)NC(=O)[C@H](Cc2cn(OC)c3ccccc23)NC1=O
    InChI
    InChI=1S/C35H49N5O7/c1-5-22(3)32-31(43)21-39-18-12-11-16-28(39)35(46)36-25(14-8-10-17-30(42)29(41)6-2)33(44)37-26(34(45)38-32)19-23-20-40(47-4)27-15-9-7-13-24(23)27/h7,9,13,15,20,22,25-26,28,32H,5-6,8,10-12,14,16-19,21H2,1-4H3,(H,36,46)(H,37,44)(H,38,45)/t22?,25-,26-,28+,32-/m0/s1
    MOLECULAR FORMULA
    C35H49N5O7
    CROSS REFERENCES
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    canSAR98660

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 651.36
    AlogP 2.29
    HBond donors 3
    HBond acceptors 12
    Atoms 96
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR98660.