basic_info |
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| Product_Name： | SETIPAFANT |
| CAS： | 132418-35-0 |
| EnglishSynonyms： | SETIPAFANT |
| pro_mdlNumber： | MFCD00867803 |
| pro_acceptors： | 8 |
| pro_donors： | 1 |
| pro_smile： | Cc1nnc2n1-c3c(c4c(s3)CN(CC4)C(=O)Nc5ccc(cc5)OC)C(=NC2)c6ccccc6Cl |
| InChi： | InChI=1S/C26H23ClN6O2S/c1-15-30-31-22-13-28-24(18-5-3-4-6-20(18)27)23-19-11-12-32(14-21(19)36-25(23)33(15)22)26(34)29-16-7-9-17(35-2)10-8-16/h3-10H,11-14H2,1-2H3,(H,29,34) |
| InChiKey： | InChIKey=DDJKTQDAEYPACV-UHFFFAOYSA-N |
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