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canSAR1086269
FEATURES
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NAMES
    SMILES
    COc1cc(/C=C/C(=O)NO)ccc1OC[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C
    InChI
    InChI=1S/C35H40N4O7/c1-35(2,3)46-34(42)38-29(18-23-10-6-5-7-11-23)33(41)37-26(20-25-21-36-28-13-9-8-12-27(25)28)22-45-30-16-14-24(19-31(30)44-4)15-17-32(40)39-43/h5-17,19,21,26,29,36,43H,18,20,22H2,1-4H3,(H,37,41)(H,38,42)(H,39,40)/b17-15+/t26-,29-/m0/s1
    MOLECULAR FORMULA
    C35H40N4O7
    CROSS REFERENCES
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    canSAR1086269

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 628.29
    AlogP 4.94
    HBond donors 5
    HBond acceptors 11
    Atoms 86
    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 canSAR1086269.