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canSAR2204966
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NAMES
    SMILES
    Oc1ccc2c(c1)CCCC(c1ccc(SC(F)F)cc1)=C2c1ccc(O[C@H]2CCN(CCCF)C2)cc1
    InChI
    InChI=1S/C31H32F3NO2S/c32-16-2-17-35-18-15-26(20-35)37-25-10-5-22(6-11-25)30-28(21-7-12-27(13-8-21)38-31(33)34)4-1-3-23-19-24(36)9-14-29(23)30/h5-14,19,26,31,36H,1-4,15-18,20H2/t26-/m0/s1
    MOLECULAR FORMULA
    C31H32F3NO2S
    CROSS REFERENCES
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    canSAR2204966

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 539.21
    AlogP 7.82
    HBond donors 1
    HBond acceptors 3
    Atoms 70
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2204966.