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canSAR1965872
FEATURES
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NAMES
    SMILES
    CN(C)CCCOc1ccc2c(c1)c(C#N)cn2-c1ccc(C(=O)O)cc1.Cl
    InChI
    InChI=1S/C21H21N3O3.ClH/c1-23(2)10-3-11-27-18-8-9-20-19(12-18)16(13-22)14-24(20)17-6-4-15(5-7-17)21(25)26;/h4-9,12,14H,3,10-11H2,1-2H3,(H,25,26);1H
    MOLECULAR FORMULA
    C21H22ClN3O3
    CROSS REFERENCES
    1965872 logo

    canSAR1965872

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 399.13
    AlogP 3.95
    HBond donors 1
    HBond acceptors 6
    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 canSAR1965872.