basic_info |
|
| Product_Name: | BUTTPARK 55\40-70 |
| EnglishSynonyms: | BUTTPARK 55\40-70 |
| pro_mdlNumber: | MFCD02327692 |
| pro_acceptors: | 11 |
| pro_donors: | 1 |
| pro_smile: | c1cc(ccc1/C=N/NC(=O)CSc2nnc(n2/N=C/c3ccc(cc3)Cl)c4ccncc4)[N+](=O)[O-] |
| InChi: | InChI=1S/C23H17ClN8O3S/c24-19-5-1-17(2-6-19)14-27-31-22(18-9-11-25-12-10-18)29-30-23(31)36-15-21(33)28-26-13-16-3-7-20(8-4-16)32(34)35/h1-14H,15H2,(H,28,33)/b26-13+,27-14+ |
| InChiKey: | InChIKey=VDVWDAPYDIRTRH-BMNRKXRESA-N |
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