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canSAR1832013
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NAMES
    SMILES
    CC(C)OC(=O)NCc1ccc(C(=O)Nc2cc(-c3cccs3)ccc2N)cc1
    InChI
    InChI=1S/C22H23N3O3S/c1-14(2)28-22(27)24-13-15-5-7-16(8-6-15)21(26)25-19-12-17(9-10-18(19)23)20-4-3-11-29-20/h3-12,14H,13,23H2,1-2H3,(H,24,27)(H,25,26)
    MOLECULAR FORMULA
    C22H23N3O3S
    CROSS REFERENCES
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    canSAR1832013

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 409.15
    AlogP 4.88
    HBond donors 4
    HBond acceptors 6
    Atoms 52
    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 canSAR1832013.