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canSAR831313
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NAMES
    SMILES
    COC(=O)[C@]12CC[C@@H](C)[C@H](C)[C@H]1C1=CC[C@@H]3[C@@]4(C)C=C(I)C(=O)C(C)(C)[C@@H]4CC[C@@]3(C)[C@]1(C)CC2
    InChI
    InChI=1S/C31H45IO3/c1-18-11-14-31(26(34)35-8)16-15-29(6)20(24(31)19(18)2)9-10-23-28(5)17-21(32)25(33)27(3,4)22(28)12-13-30(23,29)7/h9,17-19,22-24H,10-16H2,1-8H3/t18-,19+,22+,23-,24+,28+,29-,30-,31+/m1/s1
    MOLECULAR FORMULA
    C31H45IO3
    CROSS REFERENCES
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    canSAR831313

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 592.24
    AlogP 7.92
    HBond donors 0
    HBond acceptors 3
    Atoms 80
    Contains toxicophore No
    Contains PAINS Yes
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR831313.