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canSAR208812
FEATURES
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NAMES
    SMILES
    CN1CC[C@]23c4c5ccc(-c6cc7ccccc7s6)c4O[C@H]2[C@@H](O)C=C[C@H]3[C@H]1C5
    InChI
    InChI=1S/C25H23NO2S/c1-26-11-10-25-17-8-9-19(27)24(25)28-23-16(7-6-15(22(23)25)12-18(17)26)21-13-14-4-2-3-5-20(14)29-21/h2-9,13,17-19,24,27H,10-12H2,1H3/t17-,18+,19-,24-,25-/m0/s1
    MOLECULAR FORMULA
    C25H23NO2S
    CROSS REFERENCES
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    canSAR208812

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 401.14
    AlogP 4.37
    HBond donors 1
    HBond acceptors 3
    Atoms 52
    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 canSAR208812.