LABOTEST-BB LT00159357_ChemCD

LABOTEST-BB LT00159357

basic_info
Product_Name：	LABOTEST-BB LT00159357
EnglishSynonyms：	LABOTEST-BB LT00159357
pro_mdlNumber：	MFCD09263142
pro_acceptors：	8
pro_donors：	1
pro_smile：	CCn1c(c(c(c(c1=O)C#N)C)/C=C/C=C/2\C(=C(C(=O)N(C2=O)CC)C#N)C)O.CCN(CC)CC
InChi：	InChI=1S/C21H20N4O4.C6H15N/c1-5-24-18(26)14(12(3)16(10-22)20(24)28)8-7-9-15-13(4)17(11-23)21(29)25(6-2)19(15)27;1-4-7(5-2)6-3/h7-9,26H,5-6H2,1-4H3;4-6H2,1-3H3/b8-7+,15-9+;
InChiKey：	InChIKey=DUMMGUQUIPPFSU-OZEMJGTPSA-N

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