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canSAR1146219
FEATURES
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NAMES
    SMILES
    O=[N+]([O-])c1ccc(/C=C/C[C@H]2C[C@@H]([C@@H](O)c3ccccc3)CO[C@@H]2c2ccccc2)cc1
    InChI
    InChI=1S/C27H27NO4/c29-26(21-9-3-1-4-10-21)24-18-23(27(32-19-24)22-11-5-2-6-12-22)13-7-8-20-14-16-25(17-15-20)28(30)31/h1-12,14-17,23-24,26-27,29H,13,18-19H2/b8-7+/t23-,24+,26-,27+/m0/s1
    MOLECULAR FORMULA
    C27H27NO4
    CROSS REFERENCES
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    canSAR1146219

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 429.19
    AlogP 6.13
    HBond donors 1
    HBond acceptors 5
    Atoms 59
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1146219.