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canSAR834246
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NAMES
    SMILES
    C[C@](Cc1c[nH]c2ccccc12)(NC(=O)OC12C[C@@H]3C[C@@H](C[C@@H](C3)C1)C2Cl)C(=O)N[C@H](CO)Cc1ccccc1
    InChI
    InChI=1S/C32H38ClN3O4/c1-31(17-24-18-34-27-10-6-5-9-26(24)27,29(38)35-25(19-37)14-20-7-3-2-4-8-20)36-30(39)40-32-15-21-11-22(16-32)13-23(12-21)28(32)33/h2-10,18,21-23,25,28,34,37H,11-17,19H2,1H3,(H,35,38)(H,36,39)/t21-,22+,23-,25-,28?,31+,32?/m0/s1
    MOLECULAR FORMULA
    C32H38ClN3O4
    CROSS REFERENCES
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    canSAR834246

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 563.26
    AlogP 5.10
    HBond donors 4
    HBond acceptors 7
    Atoms 78
    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 canSAR834246.