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canSAR1617391
FEATURES
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NAMES
    SMILES
    C[C@@H](CO)N1C[C@@H](C)[C@@H](CN(C)S(=O)(=O)c2ccc(F)cc2)Oc2cc(C3=CCCCC3)ccc2S1(=O)=O
    InChI
    InChI=1S/C27H35FN2O6S2/c1-19-16-30(20(2)18-31)38(34,35)27-14-9-22(21-7-5-4-6-8-21)15-25(27)36-26(19)17-29(3)37(32,33)24-12-10-23(28)11-13-24/h7,9-15,19-20,26,31H,4-6,8,16-18H2,1-3H3/t19-,20+,26-/m1/s1
    MOLECULAR FORMULA
    C27H35FN2O6S2
    CROSS REFERENCES
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    canSAR1617391

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 566.19
    AlogP 3.87
    HBond donors 1
    HBond acceptors 8
    Atoms 73
    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 canSAR1617391.