basic_info |
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| Product_Name: | 2-(5-OXOPYRIDO[2,3-B][1,5]BENZOTHIAZEPIN-6(5H)-YL)BUTANOIC ACID |
| EnglishSynonyms: | 2-(5-OXOPYRIDO[2,3-B][1,5]BENZOTHIAZEPIN-6(5H)-YL)BUTANOIC ACID |
| pro_mdlNumber: | MFCD16991334 |
| pro_acceptors: | 5 |
| pro_donors: | 1 |
| pro_smile: | CCC(C(=O)O)N1c2ccccc2Sc3c(cccn3)C1=O |
| InChi: | InChI=1S/C16H14N2O3S/c1-2-11(16(20)21)18-12-7-3-4-8-13(12)22-14-10(15(18)19)6-5-9-17-14/h3-9,11H,2H2,1H3,(H,20,21) |
| InChiKey: | InChIKey=JWHQIOPKLVNMEY-UHFFFAOYSA-N |
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