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canSAR1835166
FEATURES
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NAMES
    SMILES
    O=C(CCNc1nnc(O)nc1O)NN=Cc1ccc(C(F)(F)F)cc1
    InChI
    InChI=1S/C14H13F3N6O3/c15-14(16,17)9-3-1-8(2-4-9)7-19-21-10(24)5-6-18-11-12(25)20-13(26)23-22-11/h1-4,7H,5-6H2,(H,18,22)(H,21,24)(H2,20,23,25,26)
    MOLECULAR FORMULA
    C14H13F3N6O3
    CROSS REFERENCES
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    canSAR1835166

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 370.10
    AlogP 1.25
    HBond donors 4
    HBond acceptors 9
    Atoms 39
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1835166.