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canSAR1066088
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NAMES
    SMILES
    COC(=O)[C@@H]1[C@@H](c2ccccc2)[C@]2(c3ccc(OC)cc3)Oc3cc(Cl)cc(OC)c3[C@]2(O)[C@@H]1O
    InChI
    InChI=1S/C27H25ClO7/c1-32-18-11-9-16(10-12-18)27-22(15-7-5-4-6-8-15)21(25(30)34-3)24(29)26(27,31)23-19(33-2)13-17(28)14-20(23)35-27/h4-14,21-22,24,29,31H,1-3H3/t21-,22-,24-,26+,27+/m1/s1
    MOLECULAR FORMULA
    C27H25ClO7
    CROSS REFERENCES
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    canSAR1066088

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 496.13
    AlogP 3.78
    HBond donors 2
    HBond acceptors 7
    Atoms 60
    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 canSAR1066088.