canSAR1809700
FEATURES
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NAMES
    SMILES
    OC[C@H]1Nc2ccc(C#Cc3ccc(F)cc3)cc2[C@H]2[C@@H]1CCN2Cc1ccc2c(c1)OCO2
    InChI
    InChI=1S/C28H25FN2O3/c29-21-7-3-18(4-8-21)1-2-19-5-9-24-23(13-19)28-22(25(16-32)30-24)11-12-31(28)15-20-6-10-26-27(14-20)34-17-33-26/h3-10,13-14,22,25,28,30,32H,11-12,15-17H2/t22-,25-,28-/m1/s1
    MOLECULAR FORMULA
    C28H25FN2O3
    CROSS REFERENCES
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    canSAR1809700
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight456.18
    AlogP4.30
    HBond donors2
    HBond acceptors5
    Atoms59
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809700.