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canSAR1593094
FEATURES
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NAMES
    SMILES
    COc1ccc(N2C(=O)N3[C@H](c4cccc(C)c4)[C@@H]4C(=O)N(Cc5ccccc5)C(=O)[C@@H]4[C@]3(Cc3ccccc3)C2=O)cc1
    InChI
    InChI=1S/C36H31N3O5/c1-23-10-9-15-26(20-23)31-29-30(33(41)37(32(29)40)22-25-13-7-4-8-14-25)36(21-24-11-5-3-6-12-24)34(42)38(35(43)39(31)36)27-16-18-28(44-2)19-17-27/h3-20,29-31H,21-22H2,1-2H3/t29-,30-,31-,36-/m1/s1
    MOLECULAR FORMULA
    C36H31N3O5
    CROSS REFERENCES
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    canSAR1593094

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 585.23
    AlogP 5.31
    HBond donors 0
    HBond acceptors 8
    Atoms 75
    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 canSAR1593094.