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canSAR660063
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NAMES
    SMILES
    COc1ccc2c(c1)SC1=N/C(=C\c3sc4ccccc4[n+]3C)C=C(C)N12
    InChI
    InChI=1S/C21H18N3OS2/c1-13-10-14(11-20-23(2)16-6-4-5-7-18(16)26-20)22-21-24(13)17-9-8-15(25-3)12-19(17)27-21/h4-12H,1-3H3/q+1
    MOLECULAR FORMULA
    C21H18N3OS2+
    CROSS REFERENCES
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    canSAR660063

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 392.09
    AlogP 4.96
    HBond donors 0
    HBond acceptors 4
    Atoms 45
    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 canSAR660063.