989800 logo
canSAR989800
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    COc1cc([C@@H](CC=C(C)C)OC(=O)c2cccnc2)c(OC)c2c1C(=O)C=CC2=O
    InChI
    InChI=1S/C24H23NO6/c1-14(2)7-10-19(31-24(28)15-6-5-11-25-13-15)16-12-20(29-3)21-17(26)8-9-18(27)22(21)23(16)30-4/h5-9,11-13,19H,10H2,1-4H3/t19-/m1/s1
    MOLECULAR FORMULA
    C24H23NO6
    CROSS REFERENCES
    989800 logo

    canSAR989800

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.15
    AlogP 4.29
    HBond donors 0
    HBond acceptors 7
    Atoms 54
    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 canSAR989800.