1442632 logo
canSAR1442632
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cc(SC2C(=O)CC(CCc3cnc[nH]3)(C(C)C)OC2=O)c(C(C)(C)C)cc1CO
    InChI
    InChI=1S/C25H34N2O4S/c1-15(2)25(8-7-18-12-26-14-27-18)11-20(29)22(23(30)31-25)32-21-9-16(3)17(13-28)10-19(21)24(4,5)6/h9-10,12,14-15,22,28H,7-8,11,13H2,1-6H3,(H,26,27)
    MOLECULAR FORMULA
    C25H34N2O4S
    CROSS REFERENCES
    1442632 logo

    canSAR1442632

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 458.22
    AlogP 4.51
    HBond donors 2
    HBond acceptors 6
    Atoms 66
    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 canSAR1442632.