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canSAR561076
FEATURES
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NAMES
    SMILES
    COC(=O)[C@H](C(C)C)N1CCCO[P@]1(=O)COCCn1cnc2c(N)ncnc21.O=C(O)/C=C/C(=O)O
    InChI
    InChI=1S/C17H27N6O5P.C4H4O4/c1-12(2)14(17(24)26-3)23-5-4-7-28-29(23,25)11-27-8-6-22-10-21-13-15(18)19-9-20-16(13)22;5-3(6)1-2-4(7)8/h9-10,12,14H,4-8,11H2,1-3H3,(H2,18,19,20);1-2H,(H,5,6)(H,7,8)/b;2-1+/t14-,29+;/m0./s1
    MOLECULAR FORMULA
    C21H31N6O9P
    CROSS REFERENCES
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    canSAR561076

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 542.19
    AlogP 1.21
    HBond donors 4
    HBond acceptors 15
    Atoms 68
    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 canSAR561076.