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canSAR831797
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NAMES
    SMILES
    C=C1/C(=C\C=C2/CCC[C@@]3(C)C2CC[C@@H]3[C@H](C)C[C@H]2C[C@](C)(O)C(=O)N2Cc2ccc(OC)cc2)C[C@@H](O)C[C@@H]1O
    InChI
    InChI=1S/C35H49NO5/c1-22(17-27-20-35(4,40)33(39)36(27)21-24-8-12-29(41-5)13-9-24)30-14-15-31-25(7-6-16-34(30,31)3)10-11-26-18-28(37)19-32(38)23(26)2/h8-13,22,27-28,30-32,37-38,40H,2,6-7,14-21H2,1,3-5H3/b25-10+,26-11-/t22-,27+,28-,30-,31?,32+,34-,35+/m1/s1
    MOLECULAR FORMULA
    C35H49NO5
    CROSS REFERENCES
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    canSAR831797

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 563.36
    AlogP 5.71
    HBond donors 3
    HBond acceptors 6
    Atoms 90
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831797.