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canSAR933184
FEATURES
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NAMES
    SMILES
    CC[C@H]1C[C@@]2(C)[C@@H](CC[C@@]2(O)/C=C/I)[C@@H]2CCc3cc(O)ccc3[C@@H]12
    InChI
    InChI=1S/C22H29IO2/c1-3-14-13-21(2)19(8-9-22(21,25)10-11-23)18-6-4-15-12-16(24)5-7-17(15)20(14)18/h5,7,10-12,14,18-20,24-25H,3-4,6,8-9,13H2,1-2H3/b11-10+/t14-,18-,19-,20+,21-,22+/m0/s1
    MOLECULAR FORMULA
    C22H29IO2
    CROSS REFERENCES
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    canSAR933184

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 452.12
    AlogP 5.56
    HBond donors 2
    HBond acceptors 2
    Atoms 54
    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 canSAR933184.