84213 logo
canSAR84213
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=CCNC(=O)[C@@H]1C(=C)C(=O)O[C@H]1CCCCCCCCCCCC
    InChI
    InChI=1S/C21H35NO3/c1-4-6-7-8-9-10-11-12-13-14-15-18-19(17(3)21(24)25-18)20(23)22-16-5-2/h5,18-19H,2-4,6-16H2,1H3,(H,22,23)/t18-,19+/m0/s1
    MOLECULAR FORMULA
    C21H35NO3
    CROSS REFERENCES
    84213 logo

    canSAR84213

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 349.26
    AlogP 4.70
    HBond donors 1
    HBond acceptors 4
    Atoms 60
    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 canSAR84213.