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canSAR1977233
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NAMES
    SMILES
    O=C(N[C@H]1CCC[C@@H]1Nc1ccc(C(F)(F)F)cn1)c1ncccc1-n1cccn1
    InChI
    InChI=1S/C20H19F3N6O/c21-20(22,23)13-7-8-17(25-12-13)27-14-4-1-5-15(14)28-19(30)18-16(6-2-9-24-18)29-11-3-10-26-29/h2-3,6-12,14-15H,1,4-5H2,(H,25,27)(H,28,30)/t14-,15-/m0/s1
    MOLECULAR FORMULA
    C20H19F3N6O
    CROSS REFERENCES
    1977233 logo

    canSAR1977233

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 416.16
    AlogP 3.44
    HBond donors 2
    HBond acceptors 7
    Atoms 49
    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 canSAR1977233.