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canSAR1691023
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NAMES
    SMILES
    COc1cccc(NC(=S)N(Cc2cccc(Br)c2)CC2CCC(C(=O)O)CC2)c1
    InChI
    InChI=1S/C23H27BrN2O3S/c1-29-21-7-3-6-20(13-21)25-23(30)26(15-17-4-2-5-19(24)12-17)14-16-8-10-18(11-9-16)22(27)28/h2-7,12-13,16,18H,8-11,14-15H2,1H3,(H,25,30)(H,27,28)
    MOLECULAR FORMULA
    C23H27BrN2O3S
    CROSS REFERENCES
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    canSAR1691023

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 490.09
    AlogP 5.55
    HBond donors 2
    HBond acceptors 5
    Atoms 57
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1691023.