canSAR1088448
FEATURES
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NAMES
    SMILES
    C=CCOC(=O)[C@@H]1CCC[C@H]1[C@@H]1C/C=C/C=C(/C#N)[C@H](O)[C@@H](C)C[C@H](C)C[C@H](C)C[C@H](C)[C@@H](O)CC(=O)O1
    InChI
    InChI=1S/C31H47NO6/c1-6-14-37-31(36)26-12-9-11-25(26)28-13-8-7-10-24(19-32)30(35)23(5)17-21(3)15-20(2)16-22(4)27(33)18-29(34)38-28/h6-8,10,20-23,25-28,30,33,35H,1,9,11-18H2,2-5H3/b8-7+,24-10-/t20-,21+,22-,23-,25+,26+,27-,28-,30+/m0/s1
    MOLECULAR FORMULA
    C31H47NO6
    CROSS REFERENCES
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    canSAR1088448
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight529.34
    AlogP5.28
    HBond donors2
    HBond acceptors7
    Atoms85
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1088448.