canSAR1646275
FEATURES
Loading...
NAMES
    SMILES
    CCCCC[C@H](O)/C=C/C1C[C@H]2C[C@H](S2)[C@@H]1C/C=C\CCCC(=O)O
    InChI
    InChI=1S/C21H34O3S/c1-2-3-6-9-17(22)13-12-16-14-18-15-20(25-18)19(16)10-7-4-5-8-11-21(23)24/h4,7,12-13,16-20,22H,2-3,5-6,8-11,14-15H2,1H3,(H,23,24)/b7-4-,13-12+/t16?,17-,18-,19+,20-/m0/s1
    MOLECULAR FORMULA
    C21H34O3S
    CROSS REFERENCES
    Loading...
    canSAR1646275
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight366.22
    AlogP5.20
    HBond donors2
    HBond acceptors3
    Atoms59
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1646275.