canSAR2096493
FEATURES
Loading...
NAMES
    SMILES
    CC(C)c1cc2c(cc1Br)[C@@]1(C)CCC[C@@](C)(C(=O)O)[C@@H]1C/C2=N\OCCNC(=O)c1cc(Br)cs1
    InChI
    InChI=1S/C27H32Br2N2O4S/c1-15(2)17-11-18-19(12-20(17)29)26(3)6-5-7-27(4,25(33)34)23(26)13-21(18)31-35-9-8-30-24(32)22-10-16(28)14-36-22/h10-12,14-15,23H,5-9,13H2,1-4H3,(H,30,32)(H,33,34)/b31-21+/t23-,26-,27-/m1/s1
    MOLECULAR FORMULA
    C27H32Br2N2O4S
    CROSS REFERENCES
    Loading...
    canSAR2096493
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight638.04
    AlogP7.10
    HBond donors2
    HBond acceptors6
    Atoms68
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2096493.