W64

4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine

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

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4 entries where W64 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	48
Chiral Atom Count	0
Bond Count	50
Aromatic Bond Count	12

2D diagram of W64

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Chemical Component Summary
Name	4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine
Systematic Name (OpenEye OEToolkits)	4-methyl-6-[2-[5-(4-methylpiperazin-1-yl)pyridin-3-yl]ethyl]pyridin-2-amine
Formula	C₁₈ H₂₅ N₅
Molecular Weight	311.425
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	CACTVS	3.385	CN1CCN(CC1)c2cncc(CCc3cc(C)cc(N)n3)c2
SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)c2cncc(CCc3cc(C)cc(N)n3)c2
Canonical SMILES	OpenEye OEToolkits	1.7.6	Cc1cc(nc(c1)N)CCc2cc(cnc2)N3CCN(CC3)C
InChI	InChI	1.03	InChI=1S/C18H25N5/c1-14-9-16(21-18(19)10-14)4-3-15-11-17(13-20-12-15)23-7-5-22(2)6-8-23/h9-13H,3-8H2,1-2H3,(H2,19,21)
InChIKey	InChI	1.03	QJETXLUKROHQMG-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
Pharos	CHEMBL3818545
PubChem	119057273
ChEMBL	CHEMBL3818545

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