OTAVA-FLUOR OTVD_0211_ChemCD

OTAVA-FLUOR OTVD_0211

basic_info
Product_Name：	OTAVA-FLUOR OTVD_0211
EnglishSynonyms：	OTAVA-FLUOR OTVD_0211
pro_mdlNumber：	MFCD10001172
pro_acceptors：	9
pro_donors：	4
pro_smile：	CC1=CC(=Cc2[n+](c3ccccc3s2)C)C=C(N1CCCCCC(=O)Nc4ccc(cc4)NC(=O)C(Cc5c[nH]c6c5cccc6)NC(=O)C)C.[O-]Cl(=O)(=O)=O
InChi：	InChI=1S/C41H44N6O3S.ClHO4/c1-27-22-30(24-40-46(4)37-14-9-10-15-38(37)51-40)23-28(2)47(27)21-11-5-6-16-39(49)44-32-17-19-33(20-18-32)45-41(50)36(43-29(3)48)25-31-26-42-35-13-8-7-12-34(31)35;2-1(3,4)5/h7-10,12-15,17-20,22-24,26,36,42H,5-6,11,16,21,25H2,1-4H3,(H2-,43,44,45,48,49,50);(H,2,3,4,5)
InChiKey：	InChIKey=JXRWJRTXWBXJME-UHFFFAOYSA-N

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