basic_info |
|
| Product_Name： | EMOLECULES 8012853 |
| EnglishSynonyms： | EMOLECULES 8012853 |
| pro_mdlNumber： | MFCD03148449 |
| pro_acceptors： | 5 |
| pro_donors： | 2 |
| pro_smile： | COc1ccc(cc1)c2c(sc(n2)N)CCC(=O)O |
| InChi： | InChI=1S/C13H14N2O3S/c1-18-9-4-2-8(3-5-9)12-10(6-7-11(16)17)19-13(14)15-12/h2-5H,6-7H2,1H3,(H2,14,15)(H,16,17) |
| InChiKey： | InChIKey=AZQWDFIRCJBFHN-UHFFFAOYSA-N |
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