932345 logo
canSAR932345
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)[C@@H]1C2CCC(C[C@@H]1c1ccc(-c3ccc(N=[N+]=[N-])c([125I])c3)cc1)N2C
    InChI
    InChI=1S/C22H23IN4O2/c1-27-16-8-10-20(27)21(22(28)29-2)17(12-16)14-5-3-13(4-6-14)15-7-9-19(25-26-24)18(23)11-15/h3-7,9,11,16-17,20-21H,8,10,12H2,1-2H3/t16?,17-,20?,21+/m1/s1/i23-2
    MOLECULAR FORMULA
    C22H23IN4O2
    CROSS REFERENCES
    932345 logo

    canSAR932345

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 500.09
    AlogP 5.64
    HBond donors 0
    HBond acceptors 6
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR932345.