742414 logo
canSAR742414
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Br.C[n+]1c(-c2ccc(/C=N/NC(=N)NCCN3CCOCC3)cc2)cn2ccccc21.[Br-]
    InChI
    InChI=1S/C22H28N7O.2BrH/c1-27-20(17-29-10-3-2-4-21(27)29)19-7-5-18(6-8-19)16-25-26-22(23)24-9-11-28-12-14-30-15-13-28;;/h2-8,10,16-17H,9,11-15H2,1H3,(H3,23,24,26);2*1H/q+1;;/p-1/b25-16+;;
    MOLECULAR FORMULA
    C22H29Br2N7O
    CROSS REFERENCES
    742414 logo

    canSAR742414

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 565.08
    AlogP -1.21
    HBond donors 3
    HBond acceptors 8
    Atoms 61
    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 canSAR742414.