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canSAR1616081
FEATURES
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NAMES
    SMILES
    COC(=O)c1ccc(Cn2c(SCc3cccc(C)c3)nc3ccncc32)cc1
    InChI
    InChI=1S/C23H21N3O2S/c1-16-4-3-5-18(12-16)15-29-23-25-20-10-11-24-13-21(20)26(23)14-17-6-8-19(9-7-17)22(27)28-2/h3-13H,14-15H2,1-2H3
    MOLECULAR FORMULA
    C23H21N3O2S
    CROSS REFERENCES
    1616081 logo

    canSAR1616081

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 403.14
    AlogP 4.87
    HBond donors 0
    HBond acceptors 5
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1616081.