6HZ

(2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone

Created:	2016-04-12
Last modified:	2016-05-25

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1 entries where 6HZ is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	40
Chiral Atom Count	0
Bond Count	42
Aromatic Bond Count	12

2D diagram of 6HZ

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Chemical Component Summary
Name	(2,5-dihydro-1H-pyrrol-1-yl)(2',6-dimethyl[1,1'-biphenyl]-3-yl)methanone
Systematic Name (OpenEye OEToolkits)	2,5-dihydropyrrol-1-yl-[4-methyl-3-(2-methylphenyl)phenyl]methanone
Formula	C₁₉ H₁₉ N O
Molecular Weight	277.36
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1ccccc1c3cc(C(=O)N2CC=CC2)ccc3C
SMILES	CACTVS	3.385	Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3
SMILES	OpenEye OEToolkits	2.0.4	Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3
Canonical SMILES	CACTVS	3.385	Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cc1ccccc1c2cc(ccc2C)C(=O)N3CC=CC3
InChI	InChI	1.03	InChI=1S/C19H19NO/c1-14-7-3-4-8-17(14)18-13-16(10-9-15(18)2)19(21)20-11-5-6-12-20/h3-10,13H,11-12H2,1-2H3
InChIKey	InChI	1.03	NIOIWNZLGVRPNS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3818759
PubChem	119057480
ChEMBL	CHEMBL3818759

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.