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canSAR1206855
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NAMES
    SMILES
    COc1ccc(-c2cn([C@H]3O[C@@H](COP(=O)(O)OP(=O)([O-])OC[C@H]4O[C@@H]([n+]5cccc(C(N)=O)c5)[C@H](O)[C@@H]4O)[C@H](O)[C@@H]3O)nn2)cc1
    InChI
    InChI=1S/C25H31N5O15P2/c1-40-15-6-4-13(5-7-15)16-10-30(28-27-16)25-22(34)20(32)18(44-25)12-42-47(38,39)45-46(36,37)41-11-17-19(31)21(33)24(43-17)29-8-2-3-14(9-29)23(26)35/h2-10,17-22,24-25,31-34H,11-12H2,1H3,(H3-,26,35,36,37,38,39)/t17-,18+,19-,20+,21-,22+,24-,25+/m1/s1
    MOLECULAR FORMULA
    C25H31N5O15P2
    CROSS REFERENCES
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    canSAR1206855

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 703.13
    AlogP -2.10
    HBond donors 7
    HBond acceptors 20
    Atoms 78
    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 canSAR1206855.