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canSAR1149948
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NAMES
    SMILES
    O=C(NN=Cc1ccccc1F)c1cc(Cl)ccc1C(=O)NC1CCCCC1
    InChI
    InChI=1S/C21H21ClFN3O2/c22-15-10-11-17(20(27)25-16-7-2-1-3-8-16)18(12-15)21(28)26-24-13-14-6-4-5-9-19(14)23/h4-6,9-13,16H,1-3,7-8H2,(H,25,27)(H,26,28)
    MOLECULAR FORMULA
    C21H21ClFN3O2
    CROSS REFERENCES
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    canSAR1149948

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.13
    AlogP 4.31
    HBond donors 2
    HBond acceptors 5
    Atoms 49
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1149948.