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canSAR2000778
FEATURES
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NAMES
    SMILES
    CC(=O)N1CCC2(CC1)C(C#N)=C(N)Oc1[nH]nc(C(F)(F)F)c12
    InChI
    InChI=1S/C14H14F3N5O2/c1-7(23)22-4-2-13(3-5-22)8(6-18)11(19)24-12-9(13)10(20-21-12)14(15,16)17/h2-5,19H2,1H3,(H,20,21)
    MOLECULAR FORMULA
    C14H14F3N5O2
    CROSS REFERENCES
    2000778 logo

    canSAR2000778

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 341.11
    AlogP 1.39
    HBond donors 3
    HBond acceptors 7
    Atoms 38
    Contains toxicophore No
    Contains PAINS No
    Commercially available Yes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2000778.