AWK

~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine

Created:	2017-08-24
Last modified:	2018-02-28

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1 entries where AWK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	58
Aromatic Bond Count	22

2D diagram of AWK

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Chemical Component Summary
Name	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine
Systematic Name (OpenEye OEToolkits)	~{N}-[[3-chloranyl-4-(2-ethylphenyl)phenyl]methyl]-2-(7-methyl-1~{H}-benzimidazol-2-yl)ethanamine
Formula	C₂₅ H₂₆ Cl N₃
Molecular Weight	403.947
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CCc1ccccc1c2ccc(CNCCc3[nH]c4c(C)cccc4n3)cc2Cl
SMILES	OpenEye OEToolkits	2.0.6	CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C
Canonical SMILES	CACTVS	3.385	CCc1ccccc1c2ccc(CNCCc3[nH]c4c(C)cccc4n3)cc2Cl
Canonical SMILES	OpenEye OEToolkits	2.0.6	CCc1ccccc1c2ccc(cc2Cl)CNCCc3[nH]c4c(cccc4n3)C
InChI	InChI	1.03	InChI=1S/C25H26ClN3/c1-3-19-8-4-5-9-20(19)21-12-11-18(15-22(21)26)16-27-14-13-24-28-23-10-6-7-17(2)25(23)29-24/h4-12,15,27H,3,13-14,16H2,1-2H3,(H,28,29)
InChIKey	InChI	1.03	RNRFIGKNUWHRPP-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	132281890

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.