549878 logo
canSAR549878
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc2nccc([C@H](O)CN3CCC(NCc4nc5cccc(F)c5[nH]4)CC3)c2c1.O=C(O)C(=O)O
    InChI
    InChI=1S/C25H28FN5O2.C2H2O4/c1-33-17-5-6-21-19(13-17)18(7-10-27-21)23(32)15-31-11-8-16(9-12-31)28-14-24-29-22-4-2-3-20(26)25(22)30-24;3-1(4)2(5)6/h2-7,10,13,16,23,28,32H,8-9,11-12,14-15H2,1H3,(H,29,30);(H,3,4)(H,5,6)
    MOLECULAR FORMULA
    C27H30FN5O6
    CROSS REFERENCES
    549878 logo

    canSAR549878

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.22
    AlogP 2.70
    HBond donors 5
    HBond acceptors 11
    Atoms 69
    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 canSAR549878.