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canSAR1015989
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NAMES
    SMILES
    CS(=O)(=O)c1cccc(CNC(=O)c2ccc(Oc3ccc(C#C[C@]4(O)CN5CCC4CC5)cc3)cc2)c1
    InChI
    InChI=1S/C30H30N2O5S/c1-38(35,36)28-4-2-3-23(19-28)20-31-29(33)24-7-11-27(12-8-24)37-26-9-5-22(6-10-26)13-16-30(34)21-32-17-14-25(30)15-18-32/h2-12,19,25,34H,14-15,17-18,20-21H2,1H3,(H,31,33)/t30-/m0/s1
    MOLECULAR FORMULA
    C30H30N2O5S
    CROSS REFERENCES
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    canSAR1015989

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 530.19
    AlogP 3.62
    HBond donors 2
    HBond acceptors 7
    Atoms 68
    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 canSAR1015989.