559079 logo
canSAR559079
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CC1=C(O)[C@@H](C/C(C)=C\CC[C@H](C)/C=C/C=C(\C)CCCC2=CC(=O)N(CC(=O)O)C2)OC1=O
    InChI
    InChI=1S/C27H37NO6/c1-18(10-6-12-20(3)14-23-26(32)21(4)27(33)34-23)8-5-9-19(2)11-7-13-22-15-24(29)28(16-22)17-25(30)31/h5,8-9,12,15,18,23,32H,6-7,10-11,13-14,16-17H2,1-4H3,(H,30,31)/b8-5+,19-9+,20-12-/t18-,23-/m1/s1
    MOLECULAR FORMULA
    C27H37NO6
    CROSS REFERENCES
    559079 logo

    canSAR559079

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 471.26
    AlogP 5.02
    HBond donors 2
    HBond acceptors 7
    Atoms 71
    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 canSAR559079.