canSAR158820
FEATURES
Loading...
NAMES
    SMILES
    CC1=C2[C@@H](Sc3ccccc3)[C@H](OCCO)C3=C([C@H](OCc4ccccc4)[C@](O)(C[C@@H]1OC(=O)[C@H](O)[C@@H](NCc1ccccc1)c1ccccc1)C2(C)C)[C@@](C)(O)CCC3
    InChI
    InChI=1S/C50H59NO8S/c1-33-39(59-47(54)43(53)42(36-22-13-7-14-23-36)51-31-34-18-9-5-10-19-34)30-50(56)46(58-32-35-20-11-6-12-21-35)41-38(26-17-27-49(41,4)55)44(57-29-28-52)45(40(33)48(50,2)3)60-37-24-15-8-16-25-37/h5-16,18-25,39,42-46,51-53,55-56H,17,26-32H2,1-4H3/t39-,42-,43+,44+,45+,46-,49-,50+/m0/s1
    MOLECULAR FORMULA
    C50H59NO8S
    CROSS REFERENCES
    Loading...
    canSAR158820
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight833.40
    AlogP7.64
    HBond donors5
    HBond acceptors9
    Atoms119
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR158820.