2086504 logo
canSAR2086504
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C[C@H](Nc1nccc(Nc2cc([C@@H]3C[C@@H]3F)[nH]n2)n1)c1ccc2[nH]ccc2n1
    InChI
    InChI=1S/C19H19FN8/c1-10(13-2-3-14-15(24-13)4-6-21-14)23-19-22-7-5-17(26-19)25-18-9-16(27-28-18)11-8-12(11)20/h2-7,9-12,21H,8H2,1H3,(H3,22,23,25,26,27,28)/t10-,11+,12-/m0/s1
    MOLECULAR FORMULA
    C19H19FN8
    CROSS REFERENCES
    2086504 logo

    canSAR2086504

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 378.17
    AlogP 3.82
    HBond donors 4
    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 canSAR2086504.