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canSAR1124476
FEATURES
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NAMES
    SMILES
    O=[N+]([O-])c1cccc(/C=C/C[C@H]2C[C@@H]([C@@H](O)c3ccccc3)CO[C@@H]2c2ccccc2)c1
    InChI
    InChI=1S/C27H27NO4/c29-26(21-11-3-1-4-12-21)24-18-23(27(32-19-24)22-13-5-2-6-14-22)15-7-9-20-10-8-16-25(17-20)28(30)31/h1-14,16-17,23-24,26-27,29H,15,18-19H2/b9-7+/t23-,24+,26-,27+/m0/s1
    MOLECULAR FORMULA
    C27H27NO4
    CROSS REFERENCES
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    canSAR1124476

    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 canSAR1124476.