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canSAR161703
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NAMES
    SMILES
    CC(C)(C)C[C@H]1N[C@@H](C(=O)NCC[C@H](O)CO)[C@H](c2cccc(Cl)c2)[C@@]12C(=O)Nc1cc(Cl)ccc12
    InChI
    InChI=1S/C27H33Cl2N3O4/c1-26(2,3)13-21-27(19-8-7-17(29)12-20(19)31-25(27)36)22(15-5-4-6-16(28)11-15)23(32-21)24(35)30-10-9-18(34)14-33/h4-8,11-12,18,21-23,32-34H,9-10,13-14H2,1-3H3,(H,30,35)(H,31,36)/t18-,21+,22-,23+,27-/m0/s1
    MOLECULAR FORMULA
    C27H33Cl2N3O4
    CROSS REFERENCES
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    canSAR161703

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 533.18
    AlogP 3.60
    HBond donors 5
    HBond acceptors 7
    Atoms 69
    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 canSAR161703.