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canSAR1718878
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NAMES
    SMILES
    C=C(C)C1CC=C(C)/C(=N/NC(=O)c2ccc(NC(=O)CCC)cc2)C1
    InChI
    InChI=1S/C21H27N3O2/c1-5-6-20(25)22-18-11-9-16(10-12-18)21(26)24-23-19-13-17(14(2)3)8-7-15(19)4/h7,9-12,17H,2,5-6,8,13H2,1,3-4H3,(H,22,25)(H,24,26)/b23-19+
    MOLECULAR FORMULA
    C21H27N3O2
    CROSS REFERENCES
    1718878 logo

    canSAR1718878

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 353.21
    AlogP 4.44
    HBond donors 2
    HBond acceptors 5
    Atoms 53
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1718878.