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canSAR988912
FEATURES
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NAMES
    SMILES
    OC[C@H]1O[C@@H](c2ccc(Cl)c(Cc3ccc(C4CC4)cc3)c2)[C@H](O)[C@@H](O)[C@@H]1O
    InChI
    InChI=1S/C22H25ClO5/c23-17-8-7-15(22-21(27)20(26)19(25)18(11-24)28-22)10-16(17)9-12-1-3-13(4-2-12)14-5-6-14/h1-4,7-8,10,14,18-22,24-27H,5-6,9,11H2/t18-,19-,20+,21-,22+/m1/s1
    MOLECULAR FORMULA
    C22H25ClO5
    CROSS REFERENCES
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    canSAR988912

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 404.14
    AlogP 2.32
    HBond donors 4
    HBond acceptors 5
    Atoms 53
    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 canSAR988912.