990352 logo
canSAR990352
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1sc([C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc1Cc1ccc(-c2ccc(F)cc2)s1
    InChI
    InChI=1S/C22H23FO5S2/c1-11-13(8-15-6-7-17(30-15)12-2-4-14(23)5-3-12)9-18(29-11)22-21(27)20(26)19(25)16(10-24)28-22/h2-7,9,16,19-22,24-27H,8,10H2,1H3/t16-,19-,20+,21-,22+/m1/s1
    MOLECULAR FORMULA
    C22H23FO5S2
    CROSS REFERENCES
    990352 logo

    canSAR990352

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 450.10
    AlogP 3.03
    HBond donors 4
    HBond acceptors 5
    Atoms 53
    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 canSAR990352.