545464 logo
canSAR545464
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCN(C(=O)c1cn(-c2cc(OC)cc(OC)c2)c2cc(OCCCCCCC[N+]34CCN(CC3)CC4)ccc2c1=O)c1cc(F)cc(F)c1.[Br-]
    InChI
    InChI=1S/C39H47F2N4O5.BrH/c1-4-43(30-21-28(40)20-29(41)22-30)39(47)36-27-44(31-23-33(48-2)25-34(24-31)49-3)37-26-32(10-11-35(37)38(36)46)50-19-9-7-5-6-8-15-45-16-12-42(13-17-45)14-18-45;/h10-11,20-27H,4-9,12-19H2,1-3H3;1H/q+1;/p-1
    MOLECULAR FORMULA
    C39H47BrF2N4O5
    CROSS REFERENCES
    545464 logo

    canSAR545464

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 768.27
    AlogP 3.43
    HBond donors 0
    HBond acceptors 9
    Atoms 98
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR545464.