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canSAR1151123
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NAMES
    SMILES
    C=CC(=O)N1CCc2c(sc3ncnc(NC4CCCCC4)c23)C1
    InChI
    InChI=1S/C18H22N4OS/c1-2-15(23)22-9-8-13-14(10-22)24-18-16(13)17(19-11-20-18)21-12-6-4-3-5-7-12/h2,11-12H,1,3-10H2,(H,19,20,21)
    MOLECULAR FORMULA
    C18H22N4OS
    CROSS REFERENCES
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    canSAR1151123

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 342.15
    AlogP 3.51
    HBond donors 1
    HBond acceptors 5
    Atoms 46
    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 canSAR1151123.