PQK

1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid

Created:	2020-04-27
Last modified:	2020-05-06

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1 entries where PQK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	26
Chiral Atom Count	0
Bond Count	27
Aromatic Bond Count	5

2D diagram of PQK

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Chemical Component Summary
Name	1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)	1-cyclopropyl-2,5-dimethyl-pyrrole-3-carboxylic acid
Formula	C₁₀ H₁₃ N O₂
Molecular Weight	179.216
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1cc(C(O)=O)c(C)n1C2CC2
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(n1C2CC2)C)C(=O)O
Canonical SMILES	CACTVS	3.385	Cc1cc(C(O)=O)c(C)n1C2CC2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(c(n1C2CC2)C)C(=O)O
InChI	InChI	1.03	InChI=1S/C10H13NO2/c1-6-5-9(10(12)13)7(2)11(6)8-3-4-8/h5,8H,3-4H2,1-2H3,(H,12,13)
InChIKey	InChI	1.03	VOOZJPFNBFNPEK-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	2776579
ChEMBL	CHEMBL1577069

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