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        "smiles": "CCNC(=O)[C@@H]1[C@H]([C@H]([C@H](n2cnc3c(NCC(c4ccccc4)c5ccccc5)nc(C(=O)NCCNC(=O)NC6CCN(CC6)c7ccccn7)nc32)O1)O)O",
        "formula": "C40H47N11O6",
        "atropisomerism": "No",
        "charge": 0,
        "count": 1,
        "stereochemistry": "ABSOLUTE",
        "defined_stereo": 4,
        "ez_centers": 0,
        "molecular_weight": "777.8728",
        "optical_activity": "UNSPECIFIED",
        "references": [
          "40ccb502-2249-4b85-bd6a-9873e9b9711a",
          "ce357a4b-7300-4bec-8a76-fa35f48c2b6e"
        ],
        "stereo_centers": 4
      },
      "unii": "8L3OAJ1R5A",
      "relationships": [
        {
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          "amount": {
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          },
          "type": "ACTIVE MOIETY",
          "related_substance": {
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            "refuuid": "60d0841c-6c2e-4204-8aa0-5e8e56aad68b",
            "name": "UK-432097",
            "unii": "8L3OAJ1R5A",
            "linking_id": "8L3OAJ1R5A",
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            "substance_class": "reference"
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        },
        {
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          "amount": {
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          "type": "TARGET->AGONIST",
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          "related_substance": {
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            "refuuid": "83ef8407-ced8-4588-bbb0-5a500bce6d4e",
            "name": "ADENOSINE RECEPTOR A2A",
            "unii": "Y154T023U0",
            "linking_id": "Y154T023U0",
            "ref_pname": "ADENOSINE RECEPTOR A2A",
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      "names": [
        {
          "uuid": "2b3578a6-fd66-469e-bb23-b26907c842d3",
          "name": ".BETA.-D-RIBOFURANURONAMIDE, 1-DEOXY-1-(6-((2,2-DIPHENYLETHYL)AMINO)-2-(((2-((((1-(2-PYRIDINYL)-4-PIPERIDINYL)AMINO)CARBONYL)AMINO)ETHYL)AMINO)CARBONYL)-9H-PURIN-9-YL)-N-ETHYL-",
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          "stdName": "6-((2,2-DIPHENYLETHYL)AMINO)-9-(N-ETHYL-.BETA.-D-RIBOFURANOSYLURONAMIDE)-N-(2-(N'-(1-(2-PYRIDYL)-4-PIPERIDYL)UREIDO)ETHYL)-9H-PURINE-2-CARBOXAMIDE",
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}