XVK

6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine

Created:	2022-12-13
Last modified:	2023-10-11

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2 entries where XVK is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	55
Chiral Atom Count	0
Bond Count	57
Aromatic Bond Count	12

2D diagram of XVK

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Chemical Component Summary
Name	6-(2-{2,3-difluoro-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl}ethyl)-4-methylpyridin-2-amine
Systematic Name (OpenEye OEToolkits)	6-[2-[2,3-bis(fluoranyl)-5-[2-(4-methylpiperazin-1-yl)ethyl]phenyl]ethyl]-4-methyl-pyridin-2-amine
Formula	C₂₁ H₂₈ F₂ N₄
Molecular Weight	374.471
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	Cc1cc(nc(N)c1)CCc1cc(CCN2CCN(C)CC2)cc(F)c1F
SMILES	CACTVS	3.385	CN1CCN(CC1)CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2
SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN3CCN(CC3)C
Canonical SMILES	CACTVS	3.385	CN1CCN(CC1)CCc2cc(F)c(F)c(CCc3cc(C)cc(N)n3)c2
Canonical SMILES	OpenEye OEToolkits	2.0.7	Cc1cc(nc(c1)N)CCc2cc(cc(c2F)F)CCN3CCN(CC3)C
InChI	InChI	1.06	InChI=1S/C21H28F2N4/c1-15-11-18(25-20(24)12-15)4-3-17-13-16(14-19(22)21(17)23)5-6-27-9-7-26(2)8-10-27/h11-14H,3-10H2,1-2H3,(H2,24,25)
InChIKey	InChI	1.06	DKLAHKWNKRMLJW-UHFFFAOYSA-N

Related Resource References

Resource Name	Reference
PubChem	157833848

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