E7K

7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline

Created:	2021-12-03
Last modified:	2023-05-17

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1 entries where E7K is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	60
Chiral Atom Count	0
Bond Count	65
Aromatic Bond Count	27

2D diagram of E7K

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Chemical Component Summary
Name	7-(2,4-dimethyl-1H-imidazol-1-yl)-2-(5-{[4-(1H-pyrazol-1-yl)phenyl]methyl}-1,3-thiazol-2-yl)-1,2,3,4-tetrahydroisoquinoline
Systematic Name (OpenEye OEToolkits)	2-[7-(2,4-dimethylimidazol-1-yl)-3,4-dihydro-1~{H}-isoquinolin-2-yl]-5-[(4-pyrazol-1-ylphenyl)methyl]-1,3-thiazole
Formula	C₂₇ H₂₆ N₆ S
Molecular Weight	466.601
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cn(c(C)n1)c1cc2CN(CCc2cc1)c1ncc(Cc2ccc(cc2)n2cccn2)s1
SMILES	CACTVS	3.385	Cc1cn(c(C)n1)c2ccc3CCN(Cc3c2)c4sc(Cc5ccc(cc5)n6cccn6)cn4
SMILES	OpenEye OEToolkits	2.0.7	Cc1cn(c(n1)C)c2ccc3c(c2)CN(CC3)c4ncc(s4)Cc5ccc(cc5)n6cccn6
Canonical SMILES	CACTVS	3.385	Cc1cn(c(C)n1)c2ccc3CCN(Cc3c2)c4sc(Cc5ccc(cc5)n6cccn6)cn4
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cn(c(n1)C)c2ccc3c(c2)CN(CC3)c4ncc(s4)Cc5ccc(cc5)n6cccn6
InChI	InChI	1.03	InChI=1S/C27H26N6S/c1-19-17-32(20(2)30-19)25-9-6-22-10-13-31(18-23(22)15-25)27-28-16-26(34-27)14-21-4-7-24(8-5-21)33-12-3-11-29-33/h3-9,11-12,15-17H,10,13-14,18H2,1-2H3
InChIKey	InChI	1.03	JRPPFSVORXBCPF-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	138571253

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