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canSAR1110459
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NAMES
    SMILES
    C=CCN(CC=C)Cc1c(-c2ccccc2)sc(N)c1C(=O)c1ccc(Cl)cc1
    InChI
    InChI=1S/C24H23ClN2OS/c1-3-14-27(15-4-2)16-20-21(22(28)17-10-12-19(25)13-11-17)24(26)29-23(20)18-8-6-5-7-9-18/h3-13H,1-2,14-16,26H2
    MOLECULAR FORMULA
    C24H23ClN2OS
    CROSS REFERENCES
    1110459 logo

    canSAR1110459

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.12
    AlogP 6.06
    HBond donors 2
    HBond acceptors 3
    Atoms 52
    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 canSAR1110459.