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canSAR936261
FEATURES
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NAMES
    SMILES
    C[C@@H]1O[C@@H](OCC#Cc2c(-c3ccccc3)sc3ccccc23)C[C@H](N)[C@H]1O
    InChI
    InChI=1S/C23H23NO3S/c1-15-22(25)19(24)14-21(27-15)26-13-7-11-18-17-10-5-6-12-20(17)28-23(18)16-8-3-2-4-9-16/h2-6,8-10,12,15,19,21-22,25H,13-14,24H2,1H3/t15-,19-,21+,22-/m0/s1
    MOLECULAR FORMULA
    C23H23NO3S
    CROSS REFERENCES
    936261 logo

    canSAR936261

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 393.14
    AlogP 3.76
    HBond donors 3
    HBond acceptors 4
    Atoms 51
    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 canSAR936261.