GKQ

~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide

Created:	2018-09-23
Last modified:	2018-11-28

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1 entries where GKQ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	50
Chiral Atom Count	0
Bond Count	53
Aromatic Bond Count	16

2D diagram of GKQ

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Chemical Component Summary
Name	~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-[(3-chlorophenyl)methyl]-1-(2-pyrrolidin-1-ylethyl)benzimidazole-5-carboxamide
Formula	C₂₁ H₂₃ Cl N₄ O
Molecular Weight	382.887
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Clc1cccc(CNC(=O)c2ccc3n(CCN4CCCC4)cnc3c2)c1
SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4
Canonical SMILES	CACTVS	3.385	Clc1cccc(CNC(=O)c2ccc3n(CCN4CCCC4)cnc3c2)c1
Canonical SMILES	OpenEye OEToolkits	2.0.6	c1cc(cc(c1)Cl)CNC(=O)c2ccc3c(c2)ncn3CCN4CCCC4
InChI	InChI	1.03	InChI=1S/C21H23ClN4O/c22-18-5-3-4-16(12-18)14-23-21(27)17-6-7-20-19(13-17)24-15-26(20)11-10-25-8-1-2-9-25/h3-7,12-13,15H,1-2,8-11,14H2,(H,23,27)
InChIKey	InChI	1.03	KDORBCZWJTXUAC-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	53041063
ChEMBL	CHEMBL4289401

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