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Summary Geometry Related PDB entries

N7U

Summary

Name:	(4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid
Formula:	C19 H16 N3 O3 P
Formal charge:	0
Formula weight:	365.322 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	(4-{[(4S)-2-phenylimidazo[1,2-a]pyridin-3-yl]amino}phenyl)phosphonic acid
OpenEye OEToolkits	2.0.7	[4-[(2-phenylimidazo[1,2-a]pyridin-3-yl)amino]phenyl]phosphonic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=P(O)(O)c1ccc(cc1)Nc1c(nc2ccccn12)c1ccccc1
InChI	InChI	1.03	InChI=1S/C19H16N3O3P/c23-26(24,25)16-11-9-15(10-12-16)20-19-18(14-6-2-1-3-7-14)21-17-8-4-5-13-22(17)19/h1-13,20H,(H2,23,24,25)
InChIKey	InChI	1.03	PVOVQXFFCUTLSZ-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	O[P](O)(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4)cc1
SMILES	CACTVS	3.385	O[P](O)(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4)cc1
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(cc4)P(=O)(O)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(cc1)c2c(n3ccccc3n2)Nc4ccc(cc4)P(=O)(O)O

222415

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