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    ELX-02

    DEVELOPMENTS

    DIGITAL CONTENT

    PharmaCompass
    Xls

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    2D Structure
    Also known as: Chembl2220482, Db15080
    Molecular Formula
    C19H38N4O10
    Molecular Weight
    482.5  g/mol
    InChI Key
    KJBRSTPUILEBDR-YBNFDXCTSA-N
    ELX-02 is under investigation in clinical trial NCT03309605 (Phase 1 Study of ELX-02 in Healthy Adult Subjects).
    1 2D Structure

    2D Structure

    2 Identification
    2.1 Computed Descriptors
    2.1.1 IUPAC Name
    (2R,3S,4R,5R,6S)-5-amino-6-[(1R,2R,3S,4R,6S)-4,6-diamino-2-[(2S,3R,4S,5R)-5-[(1R)-1-aminoethyl]-3,4-dihydroxyoxolan-2-yl]oxy-3-hydroxycyclohexyl]oxy-2-[(1R)-1-hydroxyethyl]oxane-3,4-diol
    2.1.2 InChI
    InChI=1S/C19H38N4O10/c1-4(20)14-12(28)13(29)19(30-14)33-17-9(25)6(21)3-7(22)16(17)32-18-8(23)10(26)11(27)15(31-18)5(2)24/h4-19,24-29H,3,20-23H2,1-2H3/t4-,5-,6-,7+,8-,9+,10-,11+,12+,13-,14-,15-,16-,17-,18-,19+/m1/s1
    2.1.3 InChI Key
    KJBRSTPUILEBDR-YBNFDXCTSA-N
    2.1.4 Canonical SMILES
    CC(C1C(C(C(O1)OC2C(C(CC(C2OC3C(C(C(C(O3)C(C)O)O)O)N)N)N)O)O)O)N
    2.1.5 Isomeric SMILES
    C[C@H]([C@@H]1[C@H]([C@H]([C@@H](O1)O[C@@H]2[C@H]([C@@H](C[C@@H]([C@H]2O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)[C@@H](C)O)O)O)N)N)N)O)O)O)N
    2.2 Synonyms
    2.2.1 Depositor-Supplied Synonyms

    1. Chembl2220482

    2. Db15080

    2.3 Create Date
    2013-05-30
    3 Chemical and Physical Properties
    Molecular Weight 482.5 g/mol
    Molecular Formula C19H38N4O10
    XLogP3-5.5
    Hydrogen Bond Donor Count10
    Hydrogen Bond Acceptor Count14
    Rotatable Bond Count6
    Exact Mass482.25879342 g/mol
    Monoisotopic Mass482.25879342 g/mol
    Topological Polar Surface Area262 Ų
    Heavy Atom Count33
    Formal Charge0
    Complexity652
    Isotope Atom Count0
    Defined Atom Stereocenter Count16
    Undefined Atom Stereocenter Count0
    Defined Bond Stereocenter Count0
    Undefined Bond Stereocenter Count0
    Covalently Bonded Unit Count1