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canSAR912875
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NAMES
    SMILES
    COc1nc2c(cc1Cc1cccc(Cl)c1F)c(=O)c(C(=O)O)cn2[C@H](CO)CC(C)C
    InChI
    InChI=1S/C23H24ClFN2O5/c1-12(2)7-15(11-28)27-10-17(23(30)31)20(29)16-9-14(22(32-3)26-21(16)27)8-13-5-4-6-18(24)19(13)25/h4-6,9-10,12,15,28H,7-8,11H2,1-3H3,(H,30,31)/t15-/m0/s1
    MOLECULAR FORMULA
    C23H24ClFN2O5
    CROSS REFERENCES
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    canSAR912875

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.14
    AlogP 4.07
    HBond donors 2
    HBond acceptors 7
    Atoms 56
    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 canSAR912875.