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canSAR1515124
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NAMES
    SMILES
    CC1(COc2ccc(C=C3SC(=O)N=C3O)cc2)CCCCC1
    InChI
    InChI=1S/C18H21NO3S/c1-18(9-3-2-4-10-18)12-22-14-7-5-13(6-8-14)11-15-16(20)19-17(21)23-15/h5-8,11H,2-4,9-10,12H2,1H3,(H,19,20,21)
    MOLECULAR FORMULA
    C18H21NO3S
    CROSS REFERENCES
    1515124 logo

    canSAR1515124

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.12
    AlogP 5.20
    HBond donors 1
    HBond acceptors 4
    Atoms 44
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1515124.