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canSAR1434181
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NAMES
    SMILES
    CC(CC(=O)Nc1ccc2c(c1)OCCO2)=NNC(=O)COc1ccc(Cl)c(C)c1
    InChI
    InChI=1S/C21H22ClN3O5/c1-13-9-16(4-5-17(13)22)30-12-21(27)25-24-14(2)10-20(26)23-15-3-6-18-19(11-15)29-8-7-28-18/h3-6,9,11H,7-8,10,12H2,1-2H3,(H,23,26)(H,25,27)
    MOLECULAR FORMULA
    C21H22ClN3O5
    CROSS REFERENCES
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    canSAR1434181

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 431.12
    AlogP 3.32
    HBond donors 2
    HBond acceptors 8
    Atoms 52
    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 canSAR1434181.