OTAVA-FLUOR OTVD_0212_Chemical Cloud Database

OTAVA-FLUOR OTVD_0212

Basic Information
Product Name：	OTAVA-FLUOR OTVD_0212
English Synonyms：	OTAVA-FLUOR OTVD_0212
MDL Number.：	MFCD10001173
H bond acceptor：	6
H bond donor：	2
Smile：	CC1=CC(=Cc2[n+](c3ccccc3s2)C)C=C(N1CCCCCC(=O)Nc4ccc(cc4)NC(=O)C(c5ccccc5)c6ccccc6)C.[O-]Cl(=O)(=O)=O
InChi：	InChI=1S/C42H42N4O2S.ClHO4/c1-30-27-32(29-40-45(3)37-19-12-13-20-38(37)49-40)28-31(2)46(30)26-14-6-11-21-39(47)43-35-22-24-36(25-23-35)44-42(48)41(33-15-7-4-8-16-33)34-17-9-5-10-18-34;2-1(3,4)5/h4-5,7-10,12-13,15-20,22-25,27-29,41H,6,11,14,21,26H2,1-3H3,(H-,43,44,47,48);(H,2,3,4,5)
InChiKey：	InChIKey=YLOAUIHWWIEFKC-UHFFFAOYSA-N

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