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canSAR912530
FEATURES
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NAMES
    SMILES
    OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ncc(-c4ccsc4)s3)c2)[C@H](O)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C20H20ClNO5S2/c21-13-2-1-10(20-19(26)18(25)17(24)14(8-23)27-20)5-12(13)6-16-22-7-15(29-16)11-3-4-28-9-11/h1-5,7,9,14,17-20,23-26H,6,8H2/t14-,17-,18+,19-,20+/m1/s1
    MOLECULAR FORMULA
    C20H20ClNO5S2
    CROSS REFERENCES
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    canSAR912530

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 453.05
    AlogP 2.63
    HBond donors 4
    HBond acceptors 6
    Atoms 49
    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 canSAR912530.