canSAR592466
FEATURES
Loading...
NAMES
    SMILES
    O=C1c2ccccc2C(=O)N1CCCO/N=C/c1cc[n+](CCCCC[n+]2ccc(/C=N/OCCCN3C(=O)c4ccccc4C3=O)cc2)cc1.[Br-].[Br-]
    InChI
    InChI=1S/C39H40N6O6.2BrH/c46-36-32-10-2-3-11-33(32)37(47)44(36)20-8-26-50-40-28-30-14-22-42(23-15-30)18-6-1-7-19-43-24-16-31(17-25-43)29-41-51-27-9-21-45-38(48)34-12-4-5-13-35(34)39(45)49;;/h2-5,10-17,22-25,28-29H,1,6-9,18-21,26-27H2;2*1H/q+2;;/p-2/b40-28+,41-29+;;
    MOLECULAR FORMULA
    C39H40Br2N6O6
    CROSS REFERENCES
    Loading...
    canSAR592466
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight846.14
    AlogP-1.79
    HBond donors0
    HBond acceptors12
    Atoms93
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR592466.