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canSAR830707
FEATURES
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NAMES
    SMILES
    CC(=C\C(=O)O)/C(=C/CCc1ccc(C23C[C@H]4C[C@@H](C2)C[C@@H](C3)C4)c(O)c1)c1cccc(C(=O)O)c1
    InChI
    InChI=1S/C31H34O5/c1-19(10-29(33)34)26(24-5-3-6-25(15-24)30(35)36)7-2-4-20-8-9-27(28(32)14-20)31-16-21-11-22(17-31)13-23(12-21)18-31/h3,5-10,14-15,21-23,32H,2,4,11-13,16-18H2,1H3,(H,33,34)(H,35,36)/b19-10+,26-7-/t21-,22+,23-,31?
    MOLECULAR FORMULA
    C31H34O5
    CROSS REFERENCES
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    canSAR830707

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 486.24
    AlogP 6.61
    HBond donors 3
    HBond acceptors 5
    Atoms 70
    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 canSAR830707.