VITAS-BB TBB020506_Chemical Cloud Database

VITAS-BB TBB020506

Basic Information
Product Name：	VITAS-BB TBB020506
English Synonyms：	VITAS-BB TBB020506
MDL Number.：	MFCD02176574
H bond acceptor：	5
H bond donor：	1
Smile：	CCOC(=O)C1=C(NC(=O)C2=C3C=C(Br)C=CC3=NC(=C2)C2=CC=CC=C2)SC2=C1CCCCCC2
InChi：	InChI=1S/C29H27BrN2O3S/c1-2-35-29(34)26-20-12-8-3-4-9-13-25(20)36-28(26)32-27(33)22-17-24(18-10-6-5-7-11-18)31-23-15-14-19(30)16-21(22)23/h5-7,10-11,14-17H,2-4,8-9,12-13H2,1H3,(H,32,33)
InChiKey：	InChIKey=JBQWTJPRMIIQSF-UHFFFAOYSA-N

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