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canSAR562922
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NAMES
    SMILES
    COC(=O)C(Cc1ccccc1)NP(=O)([O-])OC[C@H]1O[C@@H](n2c[nH+]c3c(O)nc(N)nc32)C(OC(C)C)[C@H]1OC(C)C.[Na+]
    InChI
    InChI=1S/C26H37N6O9P.Na/c1-14(2)39-20-18(12-38-42(35,36)31-17(25(34)37-5)11-16-9-7-6-8-10-16)41-24(21(20)40-15(3)4)32-13-28-19-22(32)29-26(27)30-23(19)33;/h6-10,13-15,17-18,20-21,24H,11-12H2,1-5H3,(H2,31,35,36)(H3,27,29,30,33);/q;+1/t17?,18-,20+,21?,24-;/m1./s1
    MOLECULAR FORMULA
    C26H37N6NaO9P+
    CROSS REFERENCES
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    canSAR562922

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 631.23
    AlogP -2.12
    HBond donors 5
    HBond acceptors 15
    Atoms 80
    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 canSAR562922.