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canSAR1428231
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NAMES
    SMILES
    CNC(=O)[C@@H]1NC2(CCNCC2)[C@@]2(C(=O)Nc3cc(Cl)ccc32)[C@H]1c1cccc(Cl)c1F
    InChI
    InChI=1S/C23H23Cl2FN4O2/c1-27-20(31)19-17(13-3-2-4-15(25)18(13)26)23(22(30-19)7-9-28-10-8-22)14-6-5-12(24)11-16(14)29-21(23)32/h2-6,11,17,19,28,30H,7-10H2,1H3,(H,27,31)(H,29,32)/t17-,19+,23+/m0/s1
    MOLECULAR FORMULA
    C23H23Cl2FN4O2
    CROSS REFERENCES
    1428231 logo

    canSAR1428231

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 476.12
    AlogP 2.95
    HBond donors 4
    HBond acceptors 6
    Atoms 55
    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 canSAR1428231.