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canSAR1620315
FEATURES
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(C(F)(F)F)cc2)OCc2ccccc2-c2ccccc2C1=O
    InChI
    InChI=1S/C30H33F3N2O5S/c1-20-16-35(21(2)18-36)29(37)27-11-7-6-10-26(27)25-9-5-4-8-22(25)19-40-28(20)17-34(3)41(38,39)24-14-12-23(13-15-24)30(31,32)33/h4-15,20-21,28,36H,16-19H2,1-3H3/t20-,21+,28-/m1/s1
    MOLECULAR FORMULA
    C30H33F3N2O5S
    CROSS REFERENCES
    1620315 logo

    canSAR1620315

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 590.21
    AlogP 5.05
    HBond donors 1
    HBond acceptors 7
    Atoms 74
    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 canSAR1620315.