TAK-438 ,881681-01-2 _Chemical Cloud Database

TAK-438

Basic Information
Product Name：	TAK-438
CAS：	881681-01-2 ;1260141-27-2
English Synonyms：	TAK-438 ; (2E)-BUT-2-ENEDIOIC ACID, ([5-(2-FLUOROPHENYL)-1-(PYRIDINE-3-SULFONYL)-1H-PYRROL-3-YL]METHYL)(METHYL)AMINE
MDL Number.：	MFCD18633280
H bond acceptor：	5
H bond donor：	1
Smile：	CNCc1cc(n(c1)S(=O)(=O)c2cccnc2)c3ccccc3F.C(=C/C(=O)O)\C(=O)O
InChi：	InChI=1S/C17H16FN3O2S.C4H4O4/c1-19-10-13-9-17(15-6-2-3-7-16(15)18)21(12-13)24(22,23)14-5-4-8-20-11-14;5-3(6)1-2-4(7)8/h2-9,11-12,19H,10H2,1H3;1-2H,(H,5,6)(H,7,8)/b;2-1+
InChiKey：	InChIKey=ROGSHYHKHPCCJW-WLHGVMLRSA-N
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