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canSAR841301
FEATURES
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NAMES
    SMILES
    O=C(OCCS(=O)(=O)c1ccccc1)N1c2ccccc2[C@@]23O[C@]24CCC[C@@H]3C#C/C=C\C#C[C@H]14
    InChI
    InChI=1S/C28H23NO5S/c30-26(33-19-20-35(31,32)22-13-5-3-6-14-22)29-24-16-9-8-15-23(24)28-21-11-4-1-2-7-17-25(29)27(28,34-28)18-10-12-21/h1-3,5-6,8-9,13-16,21,25H,10,12,18-20H2/b2-1-/t21-,25-,27-,28+/m0/s1
    MOLECULAR FORMULA
    C28H23NO5S
    CROSS REFERENCES
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    canSAR841301

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 485.13
    AlogP 3.83
    HBond donors 0
    HBond acceptors 6
    Atoms 58
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR841301.