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canSAR1018230
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NAMES
    SMILES
    CC(=O)[C@]1(O)CC[C@]2(O)[C@]3(O)CC=C4C[C@@H](OC(=O)/C=C/c5cccc(Br)c5)CC[C@]4(C)[C@H]3C[C@@H](OC(=O)/C=C(\C)C(C)C)[C@]12C
    InChI
    InChI=1S/C37H47BrO8/c1-22(2)23(3)18-32(41)46-30-21-29-33(5)14-13-28(45-31(40)11-10-25-8-7-9-27(38)19-25)20-26(33)12-15-36(29,43)37(44)17-16-35(42,24(4)39)34(30,37)6/h7-12,18-19,22,28-30,42-44H,13-17,20-21H2,1-6H3/b11-10+,23-18+/t28-,29+,30+,33-,34+,35+,36-,37+/m0/s1
    MOLECULAR FORMULA
    C37H47BrO8
    CROSS REFERENCES
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    canSAR1018230

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 698.25
    AlogP 6.01
    HBond donors 3
    HBond acceptors 8
    Atoms 93
    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 canSAR1018230.