canSAR1651896
FEATURES
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NAMES
    SMILES
    Nc1ncnc2c1ncn2C1OC(COP(=O)([S-])OCC(COP(=O)([S-])OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)(COP(=O)([S-])OCC2OC(n3cnc4c(N)ncnc43)C(O)C2O)COP([O-])(O)=S)C(O)C1O
    InChI
    InChI=1S/C35H49N15O21P4S4/c36-26-17-29(42-8-39-26)48(11-45-17)32-23(54)20(51)14(69-32)1-62-73(59,77)66-5-35(4-65-72(57,58)76,6-67-74(60,78)63-2-15-21(52)24(55)33(70-15)49-12-46-18-27(37)40-9-43-30(18)49)7-68-75(61,79)64-3-16-22(53)25(56)34(71-16)50-13-47-19-28(38)41-10-44-31(19)50/h8-16,20-25,32-34,51-56H,1-7H2,(H,59,77)(H,60,78)(H,61,79)(H2,36,39,42)(H2,37,40,43)(H2,38,41,44)(H2,57,58,76)/p-4
    MOLECULAR FORMULA
    C35H45N15O21P4S4-4
    CROSS REFERENCES
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    canSAR1651896
    Compound Synopsis
    OVERVIEW
    PROPERTIES
    Molecular weight1263.08
    AlogP-3.25
    HBond donors13
    HBond acceptors36
    Atoms124
    Contains toxicophoreYes
    Contains PAINSNo
    Commercially availableUnknown
    Property color indications are based on Lipinski's Ro5.
    PROTEIN TARGETS
    No information about proteins targeted by canSAR1651896.