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canSAR1128771
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NAMES
    SMILES
    CN1C/C(=C\c2cccc3ccccc23)C(=O)[C@]2(C1)[C@@H](c1cccc3ccccc13)[C@@H]1CSCN1[C@@]21C(=O)c2cccc3cccc1c23
    InChI
    InChI=1S/C43H34N2O2S/c1-44-23-31(22-30-16-6-12-27-10-2-4-17-32(27)30)40(46)42(25-44)39(34-19-7-13-28-11-3-5-18-33(28)34)37-24-48-26-45(37)43(42)36-21-9-15-29-14-8-20-35(38(29)36)41(43)47/h2-22,37,39H,23-26H2,1H3/b31-22+/t37-,39-,42-,43-/m0/s1
    MOLECULAR FORMULA
    C43H34N2O2S
    CROSS REFERENCES
    1128771 logo

    canSAR1128771

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 642.23
    AlogP 8.29
    HBond donors 0
    HBond acceptors 4
    Atoms 82
    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 canSAR1128771.