660836 logo
canSAR660836
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC(=O)N1c2ccccc2C[C@H]1COc1ccc2c(c1)c(C(=O)C(C)(C)C)c(CC(C)(C)C(=O)[O-])n2Cc1ccc(Cl)cc1.[Na+]
    InChI
    InChI=1S/C36H39ClN2O5.Na/c1-22(40)39-26(17-24-9-7-8-10-29(24)39)21-44-27-15-16-30-28(18-27)32(33(41)35(2,3)4)31(19-36(5,6)34(42)43)38(30)20-23-11-13-25(37)14-12-23;/h7-16,18,26H,17,19-21H2,1-6H3,(H,42,43);/q;+1/p-1/t26-;/m0./s1
    MOLECULAR FORMULA
    C36H38ClN2NaO5
    CROSS REFERENCES
    660836 logo

    canSAR660836

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 636.24
    AlogP 3.25
    HBond donors 0
    HBond acceptors 7
    Atoms 83
    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 canSAR660836.