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canSAR2021542
FEATURES
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NAMES
    SMILES
    CC(C)(C(=O)O)c1ccc(NC(=O)c2nc(C#N)c[nH]2)c(C2=CCCCC2)c1
    InChI
    InChI=1S/C21H22N4O3/c1-21(2,20(27)28)14-8-9-17(16(10-14)13-6-4-3-5-7-13)25-19(26)18-23-12-15(11-22)24-18/h6,8-10,12H,3-5,7H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)
    MOLECULAR FORMULA
    C21H22N4O3
    CROSS REFERENCES
    2021542 logo

    canSAR2021542

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.17
    AlogP 3.85
    HBond donors 3
    HBond acceptors 7
    Atoms 50
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2021542.