LQ2

4-aminocarbonylbenzoic acid

Created:	2019-08-30
Last modified:	2020-09-09

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1 entries where LQ2 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	19
Chiral Atom Count	0
Bond Count	19
Aromatic Bond Count	6

2D diagram of LQ2

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Chemical Component Summary
Name	4-aminocarbonylbenzoic acid
Systematic Name (OpenEye OEToolkits)	4-aminocarbonylbenzoic acid
Formula	C₈ H₇ N O₃
Molecular Weight	165.146
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	NC(=O)c1ccc(cc1)C(O)=O
SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)N)C(=O)O
Canonical SMILES	CACTVS	3.385	NC(=O)c1ccc(cc1)C(O)=O
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1cc(ccc1C(=O)N)C(=O)O
InChI	InChI	1.03	InChI=1S/C8H7NO3/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4H,(H2,9,10)(H,11,12)
InChIKey	InChI	1.03	JMHSCWJIDIKGNZ-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	506057
ChEMBL	CHEMBL335258
ChEBI	CHEBI:50738
CCDC/CSD	PEBDOQ

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.