basic_info |
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| Product_Name： | Y 39983, (2HCL, 2/3 H2O) |
| CAS： | 203911-26-6 |
| EnglishSynonyms： | Y 39983, (2HCL, 2/3 H2O) |
| pro_mdlNumber： | MFCD16038860 |
| pro_acceptors： | 5 |
| pro_donors： | 3 |
| pro_smile： | C[C@H](c1ccc(cc1)C(=O)Nc2ccnc3c2cc[nH]3)N.O.Cl.Cl |
| InChi： | InChI=1S/C16H16N4O.2ClH.H2O/c1-10(17)11-2-4-12(5-3-11)16(21)20-14-7-9-19-15-13(14)6-8-18-15;;;/h2-10H,17H2,1H3,(H2,18,19,20,21);2*1H;1H2/t10-;;;/m1.../s1 |
| InChiKey： | InChIKey=PQRQUXJWBHTRGE-FYBBWCNBSA-N |
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