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canSAR830997
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NAMES
    SMILES
    COc1cccc(Sc2c(/C=C/[C@@H]3C[C@@H](O)CC(=O)O3)c(C3CC3)nc3cc(F)c(F)cc23)c1
    InChI
    InChI=1S/C26H23F2NO4S/c1-32-16-3-2-4-18(11-16)34-26-19(8-7-17-9-15(30)10-24(31)33-17)25(14-5-6-14)29-23-13-22(28)21(27)12-20(23)26/h2-4,7-8,11-15,17,30H,5-6,9-10H2,1H3/b8-7+/t15-,17-/m1/s1
    MOLECULAR FORMULA
    C26H23F2NO4S
    CROSS REFERENCES
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    canSAR830997

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 483.13
    AlogP 5.63
    HBond donors 1
    HBond acceptors 5
    Atoms 57
    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 canSAR830997.