canSAR632274
FEATURES
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NAMES
    SMILES
    CCC1=CCC23C(=O)C=CC(=O)C2(C1)C(=O)c1cccc(OC)c1C3=O
    InChI
    InChI=1S/C21H18O5/c1-3-12-9-10-20-15(22)7-8-16(23)21(20,11-12)18(24)13-5-4-6-14(26-2)17(13)19(20)25/h4-9H,3,10-11H2,1-2H3
    MOLECULAR FORMULA
    C21H18O5
    CROSS REFERENCES
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    canSAR632274
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight350.12
    AlogP2.89
    HBond donors0
    HBond acceptors5
    Atoms44
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR632274.