canSAR2163612
FEATURES
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NAMES
    SMILES
    O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](/C=C/[N+](=O)[O-])Cc1ccccc1)OCc1ccccc1
    InChI
    InChI=1S/C27H27N3O5/c31-26(28-24(16-17-30(33)34)18-21-10-4-1-5-11-21)25(19-22-12-6-2-7-13-22)29-27(32)35-20-23-14-8-3-9-15-23/h1-17,24-25H,18-20H2,(H,28,31)(H,29,32)/b17-16+/t24-,25+/m1/s1
    MOLECULAR FORMULA
    C27H27N3O5
    CROSS REFERENCES
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    canSAR2163612
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight473.20
    AlogP4.04
    HBond donors2
    HBond acceptors8
    Atoms62
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR2163612.