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canSAR2050309
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NAMES
    SMILES
    CN[C@H]1CC[C@H](N(C)c2nc3cc(C(=O)O)ccc3nc2-c2ccc(F)cc2)CC1
    InChI
    InChI=1S/C23H25FN4O2/c1-25-17-8-10-18(11-9-17)28(2)22-21(14-3-6-16(24)7-4-14)26-19-12-5-15(23(29)30)13-20(19)27-22/h3-7,12-13,17-18,25H,8-11H2,1-2H3,(H,29,30)/t17-,18-
    MOLECULAR FORMULA
    C23H25FN4O2
    CROSS REFERENCES
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    canSAR2050309

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 408.20
    AlogP 4.10
    HBond donors 2
    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 canSAR2050309.