canSAR1087207
FEATURES
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NAMES
    SMILES
    CC(C)=CCCC1(C)C=Cc2c(ccc(C(=O)/C=C/c3cccc([N+](=O)[O-])c3)c2O)O1
    InChI
    InChI=1S/C25H25NO5/c1-17(2)6-5-14-25(3)15-13-21-23(31-25)12-10-20(24(21)28)22(27)11-9-18-7-4-8-19(16-18)26(29)30/h4,6-13,15-16,28H,5,14H2,1-3H3/b11-9+
    MOLECULAR FORMULA
    C25H25NO5
    CROSS REFERENCES
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    canSAR1087207
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight419.17
    AlogP6.11
    HBond donors1
    HBond acceptors6
    Atoms56
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1087207.