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canSAR1725768
FEATURES
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NAMES
    SMILES
    CC1=C(C(=O)N2CCOCC2)C(c2cccc(C)c2)NC(S)=N1
    InChI
    InChI=1S/C17H21N3O2S/c1-11-4-3-5-13(10-11)15-14(12(2)18-17(23)19-15)16(21)20-6-8-22-9-7-20/h3-5,10,15H,6-9H2,1-2H3,(H2,18,19,23)
    MOLECULAR FORMULA
    C17H21N3O2S
    CROSS REFERENCES
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    canSAR1725768

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 331.14
    AlogP 2.06
    HBond donors 1
    HBond acceptors 5
    Atoms 44
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1725768.