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canSAR1620835
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NAMES
    SMILES
    COc1cccc(CNC(=O)c2cc3c(-c4ccccc4F)nn(C)c3s2)c1
    InChI
    InChI=1S/C21H18FN3O2S/c1-25-21-16(19(24-25)15-8-3-4-9-17(15)22)11-18(28-21)20(26)23-12-13-6-5-7-14(10-13)27-2/h3-11H,12H2,1-2H3,(H,23,26)
    MOLECULAR FORMULA
    C21H18FN3O2S
    CROSS REFERENCES
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    canSAR1620835

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 395.11
    AlogP 4.38
    HBond donors 1
    HBond acceptors 5
    Atoms 46
    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 canSAR1620835.