canSAR1646633
FEATURES
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NAMES
    SMILES
    COc1cccc(CN2CCCC(C(=O)c3ccccc3SC)C2)c1O
    InChI
    InChI=1S/C21H25NO3S/c1-25-18-10-5-7-16(21(18)24)14-22-12-6-8-15(13-22)20(23)17-9-3-4-11-19(17)26-2/h3-5,7,9-11,15,24H,6,8,12-14H2,1-2H3
    MOLECULAR FORMULA
    C21H25NO3S
    CROSS REFERENCES
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    canSAR1646633
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight371.16
    AlogP4.22
    HBond donors1
    HBond acceptors4
    Atoms51
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1646633.