canSAR855511
FEATURES
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NAMES
    SMILES
    C[C@@H](O)[C@H]1C(=O)N2C(C(=O)[O-])=C(c3ccc4c(c3)c3ccc[n+](C)c3n4C)C[C@H]12.[Na+]
    InChI
    InChI=1S/C22H21N3O4.Na/c1-11(26)18-17-10-14(19(22(28)29)25(17)21(18)27)12-6-7-16-15(9-12)13-5-4-8-23(2)20(13)24(16)3;/h4-9,11,17-18,26H,10H2,1-3H3;/q;+1/t11-,17-,18-;/m1./s1
    MOLECULAR FORMULA
    C22H21N3NaO4+
    CROSS REFERENCES
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    canSAR855511
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight414.14
    AlogP-2.77
    HBond donors1
    HBond acceptors7
    Atoms51
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR855511.