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canSAR1591755
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NAMES
    SMILES
    CNC(=S)N(CCc1c(C)[nH]c2ccc(Cl)cc12)Cc1cc(OC)c(OC)c(OC)c1
    InChI
    InChI=1S/C23H28ClN3O3S/c1-14-17(18-12-16(24)6-7-19(18)26-14)8-9-27(23(31)25-2)13-15-10-20(28-3)22(30-5)21(11-15)29-4/h6-7,10-12,26H,8-9,13H2,1-5H3,(H,25,31)
    MOLECULAR FORMULA
    C23H28ClN3O3S
    CROSS REFERENCES
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    canSAR1591755

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.15
    AlogP 4.70
    HBond donors 2
    HBond acceptors 6
    Atoms 59
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1591755.