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canSAR1012713
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NAMES
    SMILES
    CC(C)Cc1ccncc1C#Cc1cc(Cl)ccc1OCC(=O)O
    InChI
    InChI=1S/C19H18ClNO3/c1-13(2)9-14-7-8-21-11-16(14)4-3-15-10-17(20)5-6-18(15)24-12-19(22)23/h5-8,10-11,13H,9,12H2,1-2H3,(H,22,23)
    MOLECULAR FORMULA
    C19H18ClNO3
    CROSS REFERENCES
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    canSAR1012713

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 343.10
    AlogP 3.80
    HBond donors 1
    HBond acceptors 4
    Atoms 42
    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 canSAR1012713.