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canSAR1143352
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NAMES
    SMILES
    COc1ccc(CNC(=O)CSc2nc(C)cc(C)c2C#N)cc1
    InChI
    InChI=1S/C18H19N3O2S/c1-12-8-13(2)21-18(16(12)9-19)24-11-17(22)20-10-14-4-6-15(23-3)7-5-14/h4-8H,10-11H2,1-3H3,(H,20,22)
    MOLECULAR FORMULA
    C18H19N3O2S
    CROSS REFERENCES
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    canSAR1143352

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 341.12
    AlogP 2.99
    HBond donors 1
    HBond acceptors 5
    Atoms 43
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1143352.