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canSAR1149631
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NAMES
    SMILES
    Cc1cc(O)n2s/c(=N\C(=O)[C@H](c3ccc(Cl)cc3)C(C)C)nc2n1
    InChI
    InChI=1S/C17H17ClN4O2S/c1-9(2)14(11-4-6-12(18)7-5-11)15(24)20-17-21-16-19-10(3)8-13(23)22(16)25-17/h4-9,14,23H,1-3H3/b20-17-/t14-/m0/s1
    MOLECULAR FORMULA
    C17H17ClN4O2S
    CROSS REFERENCES
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    canSAR1149631

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 376.08
    AlogP 3.33
    HBond donors 1
    HBond acceptors 6
    Atoms 42
    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 canSAR1149631.