canSAR1809352
FEATURES
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NAMES
    SMILES
    C[C@@H](Cc1ccc(OCC(=O)[O-])cc1)NC[C@H](O)c1cccc(Cl)c1.[Na+]
    InChI
    InChI=1S/C19H22ClNO4.Na/c1-13(21-11-18(22)15-3-2-4-16(20)10-15)9-14-5-7-17(8-6-14)25-12-19(23)24;/h2-8,10,13,18,21-22H,9,11-12H2,1H3,(H,23,24);/q;+1/p-1/t13-,18-;/m0./s1
    MOLECULAR FORMULA
    C19H21ClNNaO4
    CROSS REFERENCES
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    canSAR1809352
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight385.11
    AlogP-1.27
    HBond donors2
    HBond acceptors5
    Atoms47
    Contains toxicophoreNo
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1809352.