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canSAR1208377
FEATURES
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NAMES
    SMILES
    Nc1ncnc2c1ncn2[C@H]1C[C@H](O)[C@@H](COP(=O)(O)O[C@@H]2C[C@@H](COP(=O)(O)O[C@@H]3C[C@@H](COS(=O)(=O)OP(=O)(O)c4ccccc4)O[C@H]3n3cnc4c(N)ncnc43)O[C@H]2n2cnc3c(N)ncnc32)O1
    InChI
    InChI=1S/C36H42N15O18P3S/c37-29-26-32(43-12-40-29)49(15-46-26)25-8-21(52)24(66-25)11-62-72(57,58)68-22-6-18(64-35(22)50-16-47-27-30(38)41-13-44-33(27)50)9-61-71(55,56)67-23-7-19(65-36(23)51-17-48-28-31(39)42-14-45-34(28)51)10-63-73(59,60)69-70(53,54)20-4-2-1-3-5-20/h1-5,12-19,21-25,35-36,52H,6-11H2,(H,53,54)(H,55,56)(H,57,58)(H2,37,40,43)(H2,38,41,44)(H2,39,42,45)/t18-,19-,21-,22+,23+,24+,25+,35+,36+/m0/s1
    MOLECULAR FORMULA
    C36H42N15O18P3S
    CROSS REFERENCES
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    canSAR1208377

    Compound Synopsis

    OVERVIEW
    PROPERTIES
    Molecular weight 1097.18
    AlogP 0.27
    HBond donors 10
    HBond acceptors 33
    Atoms 115
    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 canSAR1208377.