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canSAR4655
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NAMES
    SMILES
    O=C(/C=C/c1ccc(CSc2nc(O)cc(Cc3ccccc3)n2)cc1)NO
    InChI
    InChI=1S/C21H19N3O3S/c25-19(24-27)11-10-15-6-8-17(9-7-15)14-28-21-22-18(13-20(26)23-21)12-16-4-2-1-3-5-16/h1-11,13,27H,12,14H2,(H,24,25)(H,22,23,26)/b11-10+
    MOLECULAR FORMULA
    C21H19N3O3S
    CROSS REFERENCES
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    canSAR4655

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.11
    AlogP 3.58
    HBond donors 3
    HBond acceptors 6
    Atoms 47
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR4655.