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canSAR1268219
FEATURES
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NAMES
    SMILES
    Nc1c2nc(Cl)n3c2nc[n+]1[C@@H]1C[C@H](COP(=O)([O-])OP(=O)(O)OC[C@H]2O[C@@H]3[C@H](O)[C@@H]2O)[C@@H](O)[C@H]1O
    InChI
    InChI=1S/C16H22ClN5O12P2/c17-16-20-8-13(18)21-4-19-14(8)22(16)15-12(26)11(25)7(33-15)3-32-36(29,30)34-35(27,28)31-2-5-1-6(21)10(24)9(5)23/h4-7,9-12,15,18,23-26H,1-3H2,(H2,27,28,29,30)/t5-,6-,7-,9-,10+,11-,12-,15-/m1/s1
    MOLECULAR FORMULA
    C16H22ClN5O12P2
    CROSS REFERENCES
    1268219 logo

    canSAR1268219

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 573.04
    AlogP -2.51
    HBond donors 7
    HBond acceptors 17
    Atoms 58
    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 canSAR1268219.