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canSAR1955995
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NAMES
    SMILES
    Cc1ccc2nc(-c3ccsc3)c(Nc3ccc(C(C)C)cc3)n2c1
    InChI
    InChI=1S/C21H21N3S/c1-14(2)16-5-7-18(8-6-16)22-21-20(17-10-11-25-13-17)23-19-9-4-15(3)12-24(19)21/h4-14,22H,1-3H3
    MOLECULAR FORMULA
    C21H21N3S
    CROSS REFERENCES
    1955995 logo

    canSAR1955995

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 347.15
    AlogP 6.24
    HBond donors 1
    HBond acceptors 3
    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 canSAR1955995.