106095 logo
canSAR106095
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCC[C@@H](C[C@@H](CCc1ccc(-c2ccccc2S(=O)(=O)NC(C)(C)C)cc1)C(=O)N[C@H](C(=O)NC)C(C)(C)C)C(=O)O
    InChI
    InChI=1S/C34H51N3O6S/c1-9-10-13-26(32(40)41)22-25(30(38)36-29(31(39)35-8)33(2,3)4)21-18-23-16-19-24(20-17-23)27-14-11-12-15-28(27)44(42,43)37-34(5,6)7/h11-12,14-17,19-20,25-26,29,37H,9-10,13,18,21-22H2,1-8H3,(H,35,39)(H,36,38)(H,40,41)/t25-,26+,29-/m1/s1
    MOLECULAR FORMULA
    C34H51N3O6S
    CROSS REFERENCES
    106095 logo

    canSAR106095

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 629.35
    AlogP 5.54
    HBond donors 4
    HBond acceptors 9
    Atoms 95
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR106095.