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canSAR558222
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NAMES
    SMILES
    COc1nc2c(CCN3CC[C@H](NCc4ccc5c(c4)NC(=O)CO5)[C@H](O)C3)c(Cl)cnc2cc1F.Cl
    InChI
    InChI=1S/C25H27ClFN5O4.ClH/c1-35-25-17(27)9-20-24(31-25)15(16(26)11-29-20)4-6-32-7-5-18(21(33)12-32)28-10-14-2-3-22-19(8-14)30-23(34)13-36-22;/h2-3,8-9,11,18,21,28,33H,4-7,10,12-13H2,1H3,(H,30,34);1H
    MOLECULAR FORMULA
    C25H28Cl2FN5O4
    CROSS REFERENCES
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    canSAR558222

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 551.15
    AlogP 2.95
    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 canSAR558222.