basic_info |
|
| Product_Name： | OTAVA-FLUOR OTVD_0198 |
| EnglishSynonyms： | OTAVA-FLUOR OTVD_0198 |
| pro_mdlNumber： | MFCD10001160 |
| pro_acceptors： | 5 |
| pro_donors： | 1 |
| pro_smile： | CCN(CC)CCNC(=O)CCCCCN1C(=CC(=Cc2[n+](c3ccccc3s2)C)C=C1C)C.[O-]Cl(=O)(=O)=O |
| InChi： | InChI=1S/C28H40N4OS.ClHO4/c1-6-31(7-2)18-16-29-27(33)15-9-8-12-17-32-22(3)19-24(20-23(32)4)21-28-30(5)25-13-10-11-14-26(25)34-28;2-1(3,4)5/h10-11,13-14,19-21H,6-9,12,15-18H2,1-5H3;(H,2,3,4,5) |
| InChiKey： | InChIKey=CIZVTYJSVSSPCH-UHFFFAOYSA-N |
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