109474 logo
canSAR109474
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    CCCCCCCCCC(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CCC3C[C@@H](O)CC(=O)O3)C21
    InChI
    InChI=1S/C29H46O5/c1-4-5-6-7-8-9-10-11-27(31)34-26-17-20(2)16-22-13-12-21(3)25(29(22)26)15-14-24-18-23(30)19-28(32)33-24/h12-13,16,20-21,23-26,29-30H,4-11,14-15,17-19H2,1-3H3/t20-,21-,23+,24?,25-,26-,29?/m0/s1
    MOLECULAR FORMULA
    C29H46O5
    CROSS REFERENCES
    109474 logo

    canSAR109474

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 474.33
    AlogP 6.29
    HBond donors 1
    HBond acceptors 5
    Atoms 80
    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 canSAR109474.