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canSAR1981707
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NAMES
    SMILES
    COc1ccc(-c2c(C#Cc3ccsc3)c3cc(-c4ccc(CN5CCOCC5)cc4)ccc3n2C)cc1
    InChI
    InChI=1S/C33H30N2O2S/c1-34-32-14-10-28(26-6-3-24(4-7-26)22-35-16-18-37-19-17-35)21-31(32)30(13-5-25-15-20-38-23-25)33(34)27-8-11-29(36-2)12-9-27/h3-4,6-12,14-15,20-21,23H,16-19,22H2,1-2H3
    MOLECULAR FORMULA
    C33H30N2O2S
    CROSS REFERENCES
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    canSAR1981707

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 518.20
    AlogP 6.81
    HBond donors 0
    HBond acceptors 4
    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 canSAR1981707.