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canSAR660965
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NAMES
    SMILES
    CCOc1ccc2c(c1)SC1=N/C(=C\c3oc4ccccc4[n+]3C)C=C(C)N12
    InChI
    InChI=1S/C22H20N3O2S/c1-4-26-16-9-10-18-20(13-16)28-22-23-15(11-14(2)25(18)22)12-21-24(3)17-7-5-6-8-19(17)27-21/h5-13H,4H2,1-3H3/q+1
    MOLECULAR FORMULA
    C22H20N3O2S+
    CROSS REFERENCES
    660965 logo

    canSAR660965

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 390.13
    AlogP 4.88
    HBond donors 0
    HBond acceptors 5
    Atoms 48
    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 canSAR660965.