5NK

2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol

Created:	2015-10-27
Last modified:	2020-06-05

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3 entries where 5NK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	59
Chiral Atom Count	0
Bond Count	62
Aromatic Bond Count	16

2D diagram of 5NK

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Chemical Component Summary
Name	2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
Synonyms	JNJ-2408068
Systematic Name (OpenEye OEToolkits)	2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol
Formula	C₂₂ H₃₀ N₆ O
Molecular Weight	394.513
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc4c(C)cccc24)n1
SMILES	OpenEye OEToolkits	2.0.4	Cc1cccc2c1nc(n2Cc3c(ccc(n3)C)O)NC4CCN(CC4)CCN
Canonical SMILES	CACTVS	3.385	Cc1ccc(O)c(Cn2c(NC3CCN(CCN)CC3)nc4c(C)cccc24)n1
Canonical SMILES	OpenEye OEToolkits	2.0.4	Cc1cccc2c1nc(n2Cc3c(ccc(n3)C)O)NC4CCN(CC4)CCN
InChI	InChI	1.03	InChI=1S/C22H30N6O/c1-15-4-3-5-19-21(15)26-22(25-17-8-11-27(12-9-17)13-10-23)28(19)14-18-20(29)7-6-16(2)24-18/h3-7,17,29H,8-14,23H2,1-2H3,(H,25,26)
InChIKey	InChI	1.03	RDQSNNMSDOHAPG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	511013
ChEMBL	CHEMBL242456

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