basic_info |
|
| Product_Name： | XL413 HYDROCHLORIDE |
| CAS： | 1169562-71-3 |
| EnglishSynonyms： | XL413 HYDROCHLORIDE |
| pro_mdlNumber： | MFCD22572732 |
| pro_acceptors： | 5 |
| pro_donors： | 2 |
| pro_smile： | c1cc2c(cc1Cl)C3C(O2)C(=O)NC(=N3)[C@@H]4CCCN4.Cl |
| InChi： | InChI=1S/C14H14ClN3O2.ClH/c15-7-3-4-10-8(6-7)11-12(20-10)14(19)18-13(17-11)9-2-1-5-16-9;/h3-4,6,9,11-12,16H,1-2,5H2,(H,17,18,19);1H/t9-,11?,12?;/m0./s1 |
| InChiKey： | InChIKey=JIASHCFTDUAOKR-CCZQXZLESA-N |
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