W66

4-METHYL-6-(2-(5-(3-(METHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE

Created:	2016-02-10
Last modified:	2016-04-20

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2 entries where W66 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	45
Chiral Atom Count	0
Bond Count	46
Aromatic Bond Count	12

2D diagram of W66

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Chemical Component Summary
Name	4-METHYL-6-(2-(5-(3-(METHYLAMINO)PROPYL)PYRIDIN-3-YL)ETHYL)PYRIDIN-2-AMINE
Systematic Name (OpenEye OEToolkits)	4-methyl-6-[2-[5-[3-(methylamino)propyl]pyridin-3-yl]ethyl]pyridin-2-amine
Formula	C₁₇ H₂₄ N₄
Molecular Weight	284.399
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC
Canonical SMILES	CACTVS	3.385	CNCCCc1cncc(CCc2cc(C)cc(N)n2)c1
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CCc2cc(cnc2)CCCNC
InChI	InChI	1.03	InChI=1S/C17H24N4/c1-13-8-16(21-17(18)9-13)6-5-15-10-14(11-20-12-15)4-3-7-19-2/h8-12,19H,3-7H2,1-2H3,(H2,18,21)
InChIKey	InChI	1.03	YUXWMCKGSHXUGW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3818373
PubChem	119081688
ChEMBL	CHEMBL3818373

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.