basic_info |
|
| Product_Name: | OTAVA-FLUOR OTVD_0214 |
| EnglishSynonyms: | OTAVA-FLUOR OTVD_0214 |
| pro_mdlNumber: | MFCD10001175 |
| pro_acceptors: | 6 |
| pro_donors: | 2 |
| pro_smile: | CC1=CC(=Cc2[n+](c3ccccc3s2)C)C=C(N1CCCCCC(=O)Nc4ccc(cc4)NC(=O)c5cccc6c5cccc6)C.[O-]Cl(=O)(=O)=O |
| InChi: | InChI=1S/C39H38N4O2S.ClHO4/c1-27-24-29(26-38-42(3)35-16-8-9-17-36(35)46-38)25-28(2)43(27)23-10-4-5-18-37(44)40-31-19-21-32(22-20-31)41-39(45)34-15-11-13-30-12-6-7-14-33(30)34;2-1(3,4)5/h6-9,11-17,19-22,24-26H,4-5,10,18,23H2,1-3H3,(H-,40,41,44,45);(H,2,3,4,5) |
| InChiKey: | InChIKey=CAUXEXPPRGJILW-UHFFFAOYSA-N |
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