MU5

~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide

Created:	2019-10-22
Last modified:	2020-11-18

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2 entries where MU5 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	12

2D diagram of MU5

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Chemical Component Summary
Name	~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide
Systematic Name (OpenEye OEToolkits)	~{N}-(2,3-dihydro-1~{H}-inden-2-yl)-3-(piperidin-1-ylcarbonylamino)pyrazine-2-carboxamide
Formula	C₂₀ H₂₃ N₅ O₂
Molecular Weight	365.429
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	O=C(Nc1nccnc1C(=O)NC2Cc3ccccc3C2)N4CCCCC4
SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCCCC4
Canonical SMILES	CACTVS	3.385	O=C(Nc1nccnc1C(=O)NC2Cc3ccccc3C2)N4CCCCC4
Canonical SMILES	OpenEye OEToolkits	2.0.7	c1ccc2c(c1)CC(C2)NC(=O)c3c(nccn3)NC(=O)N4CCCCC4
InChI	InChI	1.03	InChI=1S/C20H23N5O2/c26-19(23-16-12-14-6-2-3-7-15(14)13-16)17-18(22-9-8-21-17)24-20(27)25-10-4-1-5-11-25/h2-3,6-9,16H,1,4-5,10-13H2,(H,23,26)(H,22,24,27)
InChIKey	InChI	1.03	AOICKOCLMIPLFS-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	154815564

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.