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canSAR1835503
FEATURES
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NAMES
    SMILES
    CCCCCNC(=O)c1coc([C@H]2C(Cc3ccccc3CCC(=O)[O-])[C@@H]3CC[C@H]2O3)n1.[Na+]
    InChI
    InChI=1S/C25H32N2O5.Na/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29;/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29);/q;+1/p-1/t18?,20-,21+,23-;/m0./s1
    MOLECULAR FORMULA
    C25H31N2NaO5
    CROSS REFERENCES
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    canSAR1835503

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 462.21
    AlogP -0.22
    HBond donors 1
    HBond acceptors 7
    Atoms 64
    Contains toxicophore No
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1835503.