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canSAR1718044
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NAMES
    SMILES
    CC(CF)Nc1cc(-n2ccc3cncnc32)ncc1C(=O)NC[C@@H](F)C(C)(C)O
    InChI
    InChI=1S/C20H24F2N6O2/c1-12(7-21)27-15-6-17(28-5-4-13-8-23-11-26-18(13)28)24-9-14(15)19(29)25-10-16(22)20(2,3)30/h4-6,8-9,11-12,16,30H,7,10H2,1-3H3,(H,24,27)(H,25,29)/t12?,16-/m1/s1
    MOLECULAR FORMULA
    C20H24F2N6O2
    CROSS REFERENCES
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    canSAR1718044

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 418.19
    AlogP 2.42
    HBond donors 3
    HBond acceptors 8
    Atoms 54
    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 canSAR1718044.