basic_info |
|
| Product_Name： | CI-972 |
| CAS： | 115787-68-3 |
| EnglishSynonyms： | CI-972 |
| pro_mdlNumber： | MFCD00903898 |
| pro_acceptors： | 6 |
| pro_donors： | 4 |
| pro_smile： | c1cscc1Cc2c3c(c(=O)[nH]c(n3)N)[nH]c2N.O.Cl |
| InChi： | InChI=1S/C11H11N5OS.ClH.H2O/c12-9-6(3-5-1-2-18-4-5)7-8(14-9)10(17)16-11(13)15-7;;/h1-2,4,14H,3,12H2,(H3,13,15,16,17);1H;1H2 |
| InChiKey： | InChIKey=VBKYPHWLFBRNLQ-UHFFFAOYSA-N |
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