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canSAR1690823
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NAMES
    SMILES
    COc1cccc2c1C(NC[C@]1(c3ccccc3)CC[C@H](O)CC1)=NS2(=O)=O
    InChI
    InChI=1S/C21H24N2O4S/c1-27-17-8-5-9-18-19(17)20(23-28(18,25)26)22-14-21(12-10-16(24)11-13-21)15-6-3-2-4-7-15/h2-9,16,24H,10-14H2,1H3,(H,22,23)/t16-,21-
    MOLECULAR FORMULA
    C21H24N2O4S
    CROSS REFERENCES
    1690823 logo

    canSAR1690823

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 400.15
    AlogP 2.61
    HBond donors 2
    HBond acceptors 6
    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 canSAR1690823.