4WL

4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID

Created:	2013-02-15
Last modified:	2014-09-05

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3 entries where 4WL is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	17
Aromatic Bond Count	9

2D diagram of 4WL

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Chemical Component Summary
Name	4H-THIENO[3,2-B]PYROLE-5-CARBOXYLIC ACID
Systematic Name (OpenEye OEToolkits)	4H-thieno[3,2-b]pyrrole-5-carboxylic acid
Formula	C₇ H₅ N O₂ S
Molecular Weight	167.185
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C(O)c2cc1sccc1n2
SMILES	CACTVS	3.385	OC(=O)c1[nH]c2ccsc2c1
SMILES	OpenEye OEToolkits	1.9.2	c1csc2c1[nH]c(c2)C(=O)O
Canonical SMILES	CACTVS	3.385	OC(=O)c1[nH]c2ccsc2c1
Canonical SMILES	OpenEye OEToolkits	1.9.2	c1csc2c1[nH]c(c2)C(=O)O
InChI	InChI	1.03	InChI=1S/C7H5NO2S/c9-7(10)5-3-6-4(8-5)1-2-11-6/h1-3,8H,(H,9,10)
InChIKey	InChI	1.03	PMHDSACGRKBACK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL507614
PubChem	4961254
ChEMBL	CHEMBL507614

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.