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canSAR1401509
FEATURES
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NAMES
    SMILES
    CC(C)(C)C#Cc1cn([C@@H]2O[C@H]([C@H](O)CP(=O)([O-])[O-])[C@@H](O)[C@H]2O)c(=O)nc1N.[Na+].[Na+]
    InChI
    InChI=1S/C16H24N3O8P.2Na/c1-16(2,3)5-4-8-6-19(15(23)18-13(8)17)14-11(22)10(21)12(27-14)9(20)7-28(24,25)26;;/h6,9-12,14,20-22H,7H2,1-3H3,(H2,17,18,23)(H2,24,25,26);;/q;2*+1/p-2/t9-,10+,11-,12-,14-;;/m1../s1
    MOLECULAR FORMULA
    C16H22N3Na2O8P
    CROSS REFERENCES
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    canSAR1401509

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 461.09
    AlogP -8.88
    HBond donors 5
    HBond acceptors 11
    Atoms 52
    Contains toxicophore Yes
    Contains PAINS No
    Commercially available Unknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1401509.