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

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GDC-0623

	Properties	Image
MNX_ID	MNXM1128813
reference	chebi:167659
formula	C₁₆H₁₄FIN₄O₃
global charge	0
mol weight	456.215
InChIKey	RFWVETIZUQEJEF-UHFFFAOYSA-N
InChI	InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)
SMILES	O=C(NOCCO)C1=C(NC2=C(F)C=C(I)C=C2)N2C=NC=C2C=C1

MNX internals

InChI (mnx)	InChI=1/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)
SMILES (mnx)	[CH:1]1=[CH:4][C:14]([NH:20][C:15]2=[C:12]([C:16](=[N:21][O:25][CH2:6][CH2:5][OH:23])[OH:24])[CH:3]=[CH:2][C:11]3=[CH:8][N:19]=[CH:9][N:22]32)=[C:13]([F:17])[CH:7]=[C:10]1[I:18]

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
reactome:R-ALL-9657560 reactomeM:R-ALL-9657560 CHEBI:167659 chebi:167659 RFWVETIZUQEJEF-UHFFFAOYSA-N	GDC-0623 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide 5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide G 868 G-868 G868 GDC 0623 GDC0623 RG 7421 RG-7421