English 日本語简体中文繁體中文 한국어

✖

Menu

RCSB PDB PDBe BMRB Adv. Search Search help

Summary Geometry Related PDB entries

SZV

Summary

Name:	4-{[2-(2-hydroxyphenyl)imidazo[1,2-a]pyrazin-3-yl]amino}benzene-1,2-dicarboxylic acid
Formula:	C20 H14 N4 O5
Formal charge:	0
Formula weight:	390.349 Da
Component type:	non-polymer

Chemical Identifiers

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

Chemical Descriptors

Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	c2(c(n1c(cncc1)n2)Nc3ccc(c(C(O)=O)c3)C(O)=O)c4c(cccc4)O
InChI	InChI	1.03	InChI=1S/C20H14N4O5/c25-15-4-2-1-3-13(15)17-18(24-8-7-21-10-16(24)23-17)22-11-5-6-12(19(26)27)14(9-11)20(28)29/h1-10,22,25H,(H,26,27)(H,28,29)
InChIKey	InChI	1.03	XBODYKBLJPPTJV-UHFFFAOYSA-N
SMILES_CANONICAL	CACTVS	3.385	OC(=O)c1ccc(Nc2n3ccncc3nc2c4ccccc4O)cc1C(O)=O
SMILES	CACTVS	3.385	OC(=O)c1ccc(Nc2n3ccncc3nc2c4ccccc4O)cc1C(O)=O
SMILES_CANONICAL	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O
SMILES	OpenEye OEToolkits	2.0.7	c1ccc(c(c1)c2c(n3ccncc3n2)Nc4ccc(c(c4)C(=O)O)C(=O)O)O

221716

PDB entries from 2024-06-26

PDB statistics

PDBj update info

Contact PDBj

numon