16910 logo
canSAR16910
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COC(=O)c1ccc(CN2[C@H](COc3ccccc3)[C@H](O)[C@@H](O)[C@@H](COc3ccccc3)N(Cc3ccc(CO)cc3)S2(=O)=O)cc1
    InChI
    InChI=1S/C35H38N2O9S/c1-44-35(41)28-18-16-26(17-19-28)21-37-32(24-46-30-10-6-3-7-11-30)34(40)33(39)31(23-45-29-8-4-2-5-9-29)36(47(37,42)43)20-25-12-14-27(22-38)15-13-25/h2-19,31-34,38-40H,20-24H2,1H3/t31-,32-,33+,34+/m1/s1
    MOLECULAR FORMULA
    C35H38N2O9S
    CROSS REFERENCES
    16910 logo

    canSAR16910

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 662.23
    AlogP 3.15
    HBond donors 3
    HBond acceptors 11
    Atoms 85
    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 canSAR16910.