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canSAR1017822
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NAMES
    SMILES
    CC[C@@H]1[C@@H](C)C[C@@]2(O)C(=O)O[C@H](C)[C@H]2[C@H]1/C=C/c1ccc(-c2ccc(OC)cc2)cn1
    InChI
    InChI=1S/C26H31NO4/c1-5-22-16(2)14-26(29)24(17(3)31-25(26)28)23(22)13-10-20-9-6-19(15-27-20)18-7-11-21(30-4)12-8-18/h6-13,15-17,22-24,29H,5,14H2,1-4H3/b13-10+/t16-,17+,22+,23-,24-,26-/m0/s1
    MOLECULAR FORMULA
    C26H31NO4
    CROSS REFERENCES
    1017822 logo

    canSAR1017822

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 421.23
    AlogP 4.75
    HBond donors 1
    HBond acceptors 5
    Atoms 62
    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 canSAR1017822.