110423 logo
canSAR110423
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=CCc1cc(I)cc(CNCCCNc2cc(O)c3ccccc3n2)c1OCC
    InChI
    InChI=1S/C24H28IN3O2/c1-3-8-17-13-19(25)14-18(24(17)30-4-2)16-26-11-7-12-27-23-15-22(29)20-9-5-6-10-21(20)28-23/h3,5-6,9-10,13-15,26H,1,4,7-8,11-12,16H2,2H3,(H2,27,28,29)
    MOLECULAR FORMULA
    C24H28IN3O2
    CROSS REFERENCES
    110423 logo

    canSAR110423

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 517.12
    AlogP 5.26
    HBond donors 3
    HBond acceptors 5
    Atoms 58
    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 canSAR110423.