canSAR2064737
FEATURES
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NAMES
    SMILES
    O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(-c2ccc(-c3ccc4c(c3)OCO4)cc2)on1
    InChI
    InChI=1S/C27H26N2O4/c30-26(28-27-12-16-7-17(13-27)9-18(8-16)14-27)22-11-24(33-29-22)20-3-1-19(2-4-20)21-5-6-23-25(10-21)32-15-31-23/h1-6,10-11,16-18H,7-9,12-15H2,(H,28,30)
    MOLECULAR FORMULA
    C27H26N2O4
    CROSS REFERENCES
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    canSAR2064737
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight442.19
    AlogP5.44
    HBond donors1
    HBond acceptors6
    Atoms59
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2064737.