basic_info |
|
| Product_Name： | AURORA 5718 |
| EnglishSynonyms： | AURORA 5718 |
| pro_mdlNumber： | MFCD02165729 |
| pro_acceptors： | 6 |
| pro_donors： | 1 |
| pro_smile： | COC(=O)C1=C(NC(=O)C(=C\C2=CC=C(OC)C=C2)\C#N)SC2=C1CCC(C)C2 |
| InChi： | InChI=1S/C22H22N2O4S/c1-13-4-9-17-18(10-13)29-21(19(17)22(26)28-3)24-20(25)15(12-23)11-14-5-7-16(27-2)8-6-14/h5-8,11,13H,4,9-10H2,1-3H3,(H,24,25)/b15-11+ |
| InChiKey： | InChIKey=CXGLEFRTKFLOSU-RVDMUPIBSA-N |
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