1012959 logo
canSAR1012959
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    O=C(O)c1cncc(-c2cnc(N3CCC(Oc4cc(F)ccc4Br)CC3)nn2)c1
    InChI
    InChI=1S/C20H17BrFN5O3/c21-16-2-1-14(22)8-18(16)30-15-3-5-27(6-4-15)20-24-11-17(25-26-20)12-7-13(19(28)29)10-23-9-12/h1-2,7-11,15H,3-6H2,(H,28,29)
    MOLECULAR FORMULA
    C20H17BrFN5O3
    CROSS REFERENCES
    1012959 logo

    canSAR1012959

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 473.05
    AlogP 3.58
    HBond donors 1
    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 canSAR1012959.