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canSAR549550
FEATURES
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NAMES
    SMILES
    COc1ccc2nccc([C@H](O)CN3CCC(NCc4nc5c(cc4Cl)OCC(=O)N5)C(F)C3)c2c1.Cl
    InChI
    InChI=1S/C25H27ClFN5O4.ClH/c1-35-14-2-3-19-16(8-14)15(4-6-28-19)22(33)12-32-7-5-20(18(27)11-32)29-10-21-17(26)9-23-25(30-21)31-24(34)13-36-23;/h2-4,6,8-9,18,20,22,29,33H,5,7,10-13H2,1H3,(H,30,31,34);1H
    MOLECULAR FORMULA
    C25H28Cl2FN5O4
    CROSS REFERENCES
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    canSAR549550

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.15
    AlogP 3.28
    HBond donors 3
    HBond acceptors 9
    Atoms 65
    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 canSAR549550.