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canSAR991856
FEATURES
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NAMES
    SMILES
    O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCC#Cc1ccc(-c3ccc(C(F)(F)F)nc3)nc1)C2
    InChI
    InChI=1S/C20H14F3N5O4/c21-20(22,23)17-6-4-14(9-25-17)16-5-3-13(8-24-16)2-1-7-31-15-10-27-11-18(28(29)30)26-19(27)32-12-15/h3-6,8-9,11,15H,7,10,12H2/t15-/m0/s1
    MOLECULAR FORMULA
    C20H14F3N5O4
    CROSS REFERENCES
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    canSAR991856

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 445.10
    AlogP 3.10
    HBond donors 0
    HBond acceptors 9
    Atoms 46
    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 canSAR991856.