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canSAR1404477
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NAMES
    SMILES
    CN(c1ncnc2ccccc12)[C@H]1CCc2c(c3cc(F)ccc3n2CC(=O)O)C1
    InChI
    InChI=1S/C23H21FN4O2/c1-27(23-16-4-2-3-5-19(16)25-13-26-23)15-7-9-21-18(11-15)17-10-14(24)6-8-20(17)28(21)12-22(29)30/h2-6,8,10,13,15H,7,9,11-12H2,1H3,(H,29,30)/t15-/m0/s1
    MOLECULAR FORMULA
    C23H21FN4O2
    CROSS REFERENCES
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    canSAR1404477

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.16
    AlogP 3.80
    HBond donors 1
    HBond acceptors 6
    Atoms 51
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1404477.