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canSAR109012
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NAMES
    SMILES
    CCO/C(O)=C1\C(COCCNC)=NC(C)=C(C(=O)OC)C1c1ccccc1Cl
    InChI
    InChI=1S/C21H27ClN2O5/c1-5-29-21(26)19-16(12-28-11-10-23-3)24-13(2)17(20(25)27-4)18(19)14-8-6-7-9-15(14)22/h6-9,18,23,26H,5,10-12H2,1-4H3/b21-19+
    MOLECULAR FORMULA
    C21H27ClN2O5
    CROSS REFERENCES
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    canSAR109012

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 422.16
    AlogP 3.37
    HBond donors 2
    HBond acceptors 7
    Atoms 56
    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 canSAR109012.