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Summary Geometry Related PDB entries

TGM

Summary

Name:	4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
Formula:	C21 H15 N3 O5
Formal charge:	0
Formula weight:	389.361 Da
Component type:	non-polymer

Chemical Identifiers

Program	Version	Name
ACDLabs	12.01	4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino}benzene-1,2-dicarboxylic acid
OpenEye OEToolkits	2.0.7	4-[[2-(2-hydroxyphenyl)imidazo[1,2-a]pyridin-3-yl]amino]phthalic acid

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c1(nc3ccccn3c1Nc2ccc(c(c2)C(O)=O)C(O)=O)c4c(cccc4)O
InChI	InChI	1.03	InChI=1S/C21H15N3O5/c25-16-6-2-1-5-14(16)18-19(24-10-4-3-7-17(24)23-18)22-12-8-9-13(20(26)27)15(11-12)21(28)29/h1-11,22,25H,(H,26,27)(H,28,29)
InChIKey	InChI	1.03	CJHAGMMEDJVYBA-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4O)cc1C(O)=O
SMILES	CACTVS	3.385	OC(=O)c1ccc(Nc2n3ccccc3nc2c4ccccc4O)cc1C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2c(n3ccccc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O

221716

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