2088820 logo
canSAR2088820
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1ccc(S(=O)(=O)N(CC(C)C)C[C@@H](O)[C@H](Cc2ccccc2)N=[N+]=[N-])cc1
    InChI
    InChI=1S/C21H28N4O4S/c1-16(2)14-25(30(27,28)19-11-9-18(29-3)10-12-19)15-21(26)20(23-24-22)13-17-7-5-4-6-8-17/h4-12,16,20-21,26H,13-15H2,1-3H3/t20-,21+/m0/s1
    MOLECULAR FORMULA
    C21H28N4O4S
    CROSS REFERENCES
    2088820 logo

    canSAR2088820

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 432.18
    AlogP 3.62
    HBond donors 1
    HBond acceptors 8
    Atoms 58
    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 canSAR2088820.