1506649 logo
canSAR1506649
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    Cc1cc(C(=O)NCCOCCOCCN)ccc1-c1cccc2c(CCCOc3cccc4ccccc34)c(C(=O)O)[nH]c12
    InChI
    InChI=1S/C36H39N3O6/c1-24-23-26(35(40)38-17-20-44-22-21-43-19-16-37)14-15-27(24)29-10-5-11-30-31(34(36(41)42)39-33(29)30)12-6-18-45-32-13-4-8-25-7-2-3-9-28(25)32/h2-5,7-11,13-15,23,39H,6,12,16-22,37H2,1H3,(H,38,40)(H,41,42)
    MOLECULAR FORMULA
    C36H39N3O6
    CROSS REFERENCES
    1506649 logo

    canSAR1506649

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 609.28
    AlogP 5.73
    HBond donors 5
    HBond acceptors 9
    Atoms 84
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1506649.