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Summary Geometry Related PDB entries

LCJ

Summary

Name:	5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
Formula:	C16 H14 F I N4 O3
Formal charge:	0
Formula weight:	456.21 Da
Component type:	NON-POLYMER

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	5-[(2-fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
OpenEye OEToolkits	2.0.7	5-[(2-fluoranyl-4-iodanyl-phenyl)amino]-~{N}-(2-hydroxyethyloxy)imidazo[1,5-a]pyridine-6-carboxamide

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(c(C(=O)NOCCO)ccc2n1cnc2)Nc3c(F)cc(cc3)I
InChI	InChI	1.03	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)
InChIKey	InChI	1.03	RFWVETIZUQEJEF-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F
SMILES	CACTVS	3.385	OCCONC(=O)c1ccc2cncn2c1Nc3ccc(I)cc3F
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO
SMILES	OpenEye OEToolkits	2.0.7	c1cc(c(cc1I)F)Nc2c(ccc3n2cnc3)C(=O)NOCCO

221716

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