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canSAR1444642
FEATURES
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NAMES
    SMILES
    O=C(CCCC(=O)OCC(=O)c1ccccc1)Nc1cc(C(F)(F)F)ccc1Cl
    InChI
    InChI=1S/C20H17ClF3NO4/c21-15-10-9-14(20(22,23)24)11-16(15)25-18(27)7-4-8-19(28)29-12-17(26)13-5-2-1-3-6-13/h1-3,5-6,9-11H,4,7-8,12H2,(H,25,27)
    MOLECULAR FORMULA
    C20H17ClF3NO4
    CROSS REFERENCES
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    canSAR1444642

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 427.08
    AlogP 4.89
    HBond donors 1
    HBond acceptors 5
    Atoms 46
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1444642.