canSAR1649742
FEATURES
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NAMES
    SMILES
    CN(C)[C@@H]1C(O)=C(C(=O)NCNCCCC(=O)O)C(=O)[C@@]2(O)C(O)=C3C(=O)c4c(O)cccc4[C@@](C)(O)[C@H]3C[C@@H]12.[Na+]
    InChI
    InChI=1S/C27H33N3O10.Na/c1-26(39)12-6-4-7-15(31)17(12)21(34)18-13(26)10-14-20(30(2)3)22(35)19(24(37)27(14,40)23(18)36)25(38)29-11-28-9-5-8-16(32)33;/h4,6-7,13-14,20,28,31,35-36,39-40H,5,8-11H2,1-3H3,(H,29,38)(H,32,33);/q;+1/t13-,14-,20-,26+,27-;/m0./s1
    MOLECULAR FORMULA
    C27H33N3NaO10+
    CROSS REFERENCES
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    canSAR1649742
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight582.21
    AlogP-3.17
    HBond donors8
    HBond acceptors13
    Atoms74
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1649742.