OTAVA-FLUOR OTVD_0207_ChemCD

OTAVA-FLUOR OTVD_0207

basic_info
Product_Name：	OTAVA-FLUOR OTVD_0207
EnglishSynonyms：	OTAVA-FLUOR OTVD_0207
pro_mdlNumber：	MFCD10001168
pro_acceptors：	9
pro_donors：	2
pro_smile：	CC1=CC(=Cc2[n+](c3ccccc3s2)C)C=C(N1CCCCCC(=O)Nc4ccc(cc4)NC(=O)COc5ccc6c7ccccc7c(=O)oc6c5)C.[O-]Cl(=O)(=O)=O
InChi：	InChI=1S/C43H40N4O5S.ClHO4/c1-28-23-30(25-42-46(3)37-13-8-9-14-39(37)53-42)24-29(2)47(28)22-10-4-5-15-40(48)44-31-16-18-32(19-17-31)45-41(49)27-51-33-20-21-35-34-11-6-7-12-36(34)43(50)52-38(35)26-33;2-1(3,4)5/h6-9,11-14,16-21,23-26H,4-5,10,15,22,27H2,1-3H3,(H-,44,45,48,49);(H,2,3,4,5)
InChiKey：	InChIKey=ZMKOJPSWFSLHQT-UHFFFAOYSA-N

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