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canSAR1020874
FEATURES
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NAMES
    SMILES
    OC[C@H]1O[C@@H](c2cc(Cc3cc4ccccc4s3)ccc2O)[C@H](O)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C21H22O6S/c22-10-16-18(24)19(25)20(26)21(27-16)14-8-11(5-6-15(14)23)7-13-9-12-3-1-2-4-17(12)28-13/h1-6,8-9,16,18-26H,7,10H2/t16-,18-,19+,20-,21+/m1/s1
    MOLECULAR FORMULA
    C21H22O6S
    CROSS REFERENCES
    1020874 logo

    canSAR1020874

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 402.11
    AlogP 1.71
    HBond donors 5
    HBond acceptors 6
    Atoms 50
    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 canSAR1020874.