canSAR1603902
FEATURES
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NAMES
    SMILES
    O=C(OCC1OC(n2ncc(=O)[nH]c2=O)C(OC(=O)c2ccccc2)C1OC(=O)c1ccccc1)c1ccccc1
    InChI
    InChI=1S/C29H23N3O9/c33-22-16-30-32(29(37)31-22)25-24(41-28(36)20-14-8-3-9-15-20)23(40-27(35)19-12-6-2-7-13-19)21(39-25)17-38-26(34)18-10-4-1-5-11-18/h1-16,21,23-25H,17H2,(H,31,33,37)
    MOLECULAR FORMULA
    C29H23N3O9
    CROSS REFERENCES
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    canSAR1603902
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight557.14
    AlogP2.14
    HBond donors1
    HBond acceptors12
    Atoms64
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableYes
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1603902.