canSAR856843
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc4c5cccnc5n(C)c4c3)C[C@H]12.[Na+]
    InChI
    InChI=1S/C21H19N3O4.Na/c1-10(25)17-16-9-14(18(21(27)28)24(16)20(17)26)11-5-6-12-13-4-3-7-22-19(13)23(2)15(12)8-11;/h3-8,10,16-17,25H,9H2,1-2H3,(H,27,28);/q;+1/p-1/t10-,16-,17-;/m1./s1
    MOLECULAR FORMULA
    C21H18N3NaO4
    CROSS REFERENCES
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    canSAR856843
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight399.12
    AlogP-2.20
    HBond donors1
    HBond acceptors7
    Atoms47
    Contains toxicophoreNo
    Contains PAINSYes
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR856843.