MetaNetX
Automated Model Construction and Genome Annotation for Large-Scale Metabolic Networks

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SCH-351591

	Properties	Image
MNX_ID	MNXM161005
reference	chebi:77774
formula	C₁₇H₁₀Cl₂F₃N₃O₃
global charge	0
mol weight	432.185
InChIKey	RUOGJYKOQBFJIG-UHFFFAOYSA-N
InChI	InChI=1S/C17H10Cl2F3N3O3/c1-28-12-4-2-9(8-3-5-13(17(20,21)22)23-14(8)12)16(26)24-15-10(18)6-25(27)7-11(15)19/h2-7H,1H3,(H,24,26)
SMILES	COC1=CC=C(C(=O)NC2=C(Cl)C=[N+]([O-])C=C2Cl)C2=CC=C(C(F)(F)F)N=C12

MNX internals

InChI (mnx)	InChI=1/C17H10Cl2F3N3O3/c1-28-12-4-2-9(8-3-5-13(17(20,21)22)23-14(8)12)16(26)24-15-10(18)6-25(27)7-11(15)19/h2-7H,1H3,(H,24,26)
SMILES (mnx)	[CH3:1][O:28][C:12]1=[C:14]2[C:8](=[C:9]([C:16]([NH:24][C:15]3=[C:11]([Cl:19])[CH:7]=[N+:25]([O-:27])[CH:6]=[C:10]3[Cl:18])=[O:26])[CH:2]=[CH:4]1)[CH:3]=[CH:5][C:13]([C:17]([F:20])([F:21])[F:22])=[N:23]2

Parent-child relations graph

Occurences in reactions	#reac
in my sandbox	0
in MNXref (generic)	0
in models (compartimentalized)	0

Similar chemical compounds in external resources
Identifier	Description
CHEBI:77774 chebi:77774 RUOGJYKOQBFJIG-UHFFFAOYSA-N	SCH-351591 8-methoxy-2-trifluoromethylquinoline-5-carboxylic acid (3,5-dichloro-1-oxypyridin-4-yl)amide N-(3,5-dichloro-1-oxido-4-pyridinyl)-8-methoxy-2-(trifluoromethyl)-5-quinoline carboxamide N-(3,5-dichloro-1-oxidopyridin-4-yl)-8-methoxy-2-(trifluoromethyl)quinoline-5-carboxamide SCH351591 Sch 351591 Sch-351591