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canSAR1969454
FEATURES
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NAMES
    SMILES
    C[C@@]1(c2nc(NC(=O)c3nn(C(F)F)cc3Cl)ccc2F)CO[C@@](C)(C(F)(F)F)C(N)=N1
    InChI
    InChI=1S/C17H15ClF6N6O2/c1-15(6-32-16(2,13(25)28-15)17(22,23)24)11-8(19)3-4-9(26-11)27-12(31)10-7(18)5-30(29-10)14(20)21/h3-5,14H,6H2,1-2H3,(H2,25,28)(H,26,27,31)/t15-,16+/m0/s1
    MOLECULAR FORMULA
    C17H15ClF6N6O2
    CROSS REFERENCES
    1969454 logo

    canSAR1969454

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 484.08
    AlogP 3.64
    HBond donors 3
    HBond acceptors 8
    Atoms 47
    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 canSAR1969454.