8397 logo
canSAR8397
FEATURES
Loading...
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
avatar
NAMES
    SMILES
    C=C(c1ccccc1)C1COC2(CCC(=C(C)C(=O)OCC)CC2)OO1
    InChI
    InChI=1S/C21H26O5/c1-4-23-20(22)16(3)18-10-12-21(13-11-18)24-14-19(25-26-21)15(2)17-8-6-5-7-9-17/h5-9,19H,2,4,10-14H2,1,3H3/b18-16-
    MOLECULAR FORMULA
    C21H26O5
    CROSS REFERENCES
    8397 logo

    canSAR8397

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 358.18
    AlogP 4.20
    HBond donors 0
    HBond acceptors 5
    Atoms 52
    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 canSAR8397.