1017987 logo
canSAR1017987
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCOC(=O)[C@H]1C[C@@H]2COc3ccc(/N=N/c4ccccc4)cc3[C@@H]2N1Cc1ccccc1
    InChI
    InChI=1S/C29H31N3O3/c1-2-3-16-34-29(33)26-17-22-20-35-27-15-14-24(31-30-23-12-8-5-9-13-23)18-25(27)28(22)32(26)19-21-10-6-4-7-11-21/h4-15,18,22,26,28H,2-3,16-17,19-20H2,1H3/b31-30+/t22-,26-,28-/m1/s1
    MOLECULAR FORMULA
    C29H31N3O3
    CROSS REFERENCES
    1017987 logo

    canSAR1017987

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 469.24
    AlogP 6.77
    HBond donors 0
    HBond acceptors 6
    Atoms 66
    Contains toxicophore Yes
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1017987.